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Entry ID	Data summary	Entry Title	Citation Title	Authors
31139	Chemical Shifts: 1 set Spectral_peak_list: 1 set	HADDOCK models of active human alphaM I-domain bound to the the C-terminal domain of the cytokine pleiotrophin	NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin	H Nguyen, X Wang
31138	Chemical Shifts: 1 set Spectral_peak_list: 1 set	HADDOCK models of human alphaM I-domain bound to the the N-terminal domain of the cytokine pleiotrophin	NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin	H Nguyen, X Wang
31066	Chemical Shifts: 1 set	NMR Solution Structure of LvIC analogue	Discovery, Characterization and Engineering of LvIC, an alpha 4/4-Conotoxin That Selectively Blocks Rat alpha6/alpha3beta4 Nicotinic Acetylcholine Receptors	D J Craik, D Zhangsun, J Yu, P J Harvey, Q Kaas, S Luo, S Wang, X Zhu, Y Wu
31065	Chemical Shifts: 1 set	Backbone and sidechain resonance assignments of human Atg3 with deletions of resides 1 to 25 and residues 90 to 190	Translating Membrane Geometry into Protein Function: Multifaceted Membrane Interactions of Human Atg3 Promote LC3-Phosphatidylethanolamine Conjugation during Autophagy	E R Tyndall, F Tian, G F Wang, H G Wang, J M Flanagan, M C Bewley, V Bui, X P Hong, Y Shen, Y S Ye
34645	Chemical Shifts: 1 set	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	X Wang
34647	Chemical Shifts: 1 set	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	S Bouaziz, X Wang
34646	Chemical Shifts: 1 set	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles	S Bouaziz, X Wang
30906	Chemical Shifts: 1 set	The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations	Antipsychotic phenothiazine drugs bind to KRAS in vitro.	A A Gorfe, J A Putkey, X Wang
30845	Chemical Shifts: 1 set	The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs	Binding of antipsychotic phenothiazine drugs to KRAS in vitro	A A Gorfe, J A Putkey, X Wang
30694	Chemical Shifts: 1 set	The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22	Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate	A A Gorfe, A K Gupta, C V Pagba, J P Putkey, P Prakash, X Wang
30610	Chemical Shifts: 1 set	hMcl1 inhibitor complex	AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.	A C Cheng, A Coxon, A Wei, A W Roberts, B Belmontes, B Lucas, C H Benes, D A Whittington, D C Huang, D Chui, D Moujalled, E Cajulis, G Moody, G Pomilio, J Canon, J D McClanaghan, J Gong, J Houze, J P Taygerly, J Sun, K S Keegan, L Damon, L Poppe, L Zhu, M Cardozo, M Vimolratana, M Zancanella, N A Paras, P Beltran, P E Hughes, P Greninger, R K Egan, S Caenepeel, S P Brown, T Osgood, X Huang, X Wang, Y Li
36243	Chemical Shifts: 1 set	Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR	The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis.	Bing Li, Charles D Schwieters, Guo-Xiang X Wu, Hong Hu, Hua-Yi Y Wang, Jian Wang, Jing X Liu, Jing-Yu Y Lin, Jing Zhang, Jun-Xia X Lu, Xia-Lian L Wu, Xing-Qi Q Dong
30585	Chemical Shifts: 1 set	Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide	Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF	B D Strahl, B J Klein, E M Cornett, J E Lee, J W Ahn, K Ge, K Krajewski, L Xu, M R Holden, R G Roeder, S B Rothbart, S P Wang, T G Kutateladze, X Shi, Y Dou, Y Jang, Y Zhang
30524	Chemical Shifts: 1 set	NMR structure of Database designed and improved anti-Staphylococcal peptide DFT503 bound to micelles	Low cationicity is important for systemic in vivo efficacy of database-derived peptides against drug-resistant Gram-positive pathogens	B Mishra, G Wang, J L Narayana, T Lushnikova, X Wang
36143	Chemical Shifts: 1 set	zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase	Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase	C Tang, D Zhang, J Huang, L Y Qin, P Yin, S Yang, T Zou, X Dong, X Wang, Y L Zhu, Z Gong
36117	Chemical Shifts: 1 set	SOLUTION STRUCTURE OF HUMAN MOG1	Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation	H Liu, J Wu, J Zhang, K Ruan, Q Gong, Q Hu, R Tian, S Akram, W Wang, X Bao, X Liu, X Yao, X Yuan, Y Liu, Y Shi, Y Zhang, Z Dou, Z Zhang
36107	Chemical Shifts: 1 set	Solution structure of arenicin-3 derivative N2	Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis	D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
36105	Chemical Shifts: 1 set	Solution structure of arenicin-3 derivative N6	Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis	D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
36106	Chemical Shifts: 1 set	Solution structure of arenicin-3 derivative N1	Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis	D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
30306	Chemical Shifts: 1 set	Cytokine-like Stress Response Peptide-2 in Manduca Sexta	Solution Structure and Expression Profile of an Insect Cytokine: Manduca sexta Stress Response Peptide-2.	A I Herrera, H Jiang, L G Schrag, O Prakash, X Cao, Y Wang
36054	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with glucosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36056	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module Y5A mutant with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T Feng, T N Koelsch, X Guan, X Wang, Y Ruan, Z Tan
36050	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module, unglycosylated form	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36051	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Thr1	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36052	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36053	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser14	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36055	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module Q2A mutant with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
30157	Chemical Shifts: 1 set	NMR structure of the E. coli protein NPr, residues 1-85	Solution structure of NPr, a bacterial signal-transducing protein that controls the phosphorylation state of the potassium transporter-regulating protein IIA Ntr.	A Peterkofsky, G Wang, X Li
36012	Chemical Shifts: 1 set	Solution structure of nedd8 from Trypanosoma brucei	Solution structure of nedd8 from Trypanosoma brucei	J Zhang, R Wang, S Liao, X Tu
30019	Chemical Shifts: 2 sets	NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide	Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition	C Cao, C Tang, H Yang, J Cheng, J Fang, J Wang, J Wong, M Liu, P Wang, Q Zhang, R Gong, W Lan, X Zhang, Y Feng, Y Xu, Z Gong
18933	Chemical Shifts: 1 set	ASFV Pol X structure	How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.	Chun-Wei Eric Wang, Frank HT Nelissen, Jian-Li Wu, Jurgen F Doreleijers, Liang-Hin Lim, Mei-I Su, Ming-Chuan Chad Chen, Ming-Daw Tsai, Sandeep Kumar, Sybren S Wijmenga, Wen-Jin Wu
18935	Chemical Shifts: 1 set	African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA	How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.	Chun-Wei Eric Wang, Frank HT Nelissen, Jian-Li Wu, Jurgen F Doreleijers, Liang-Hin Lim, Mei-I Su, Ming-Chuan Chad Chen, Ming-Daw Tsai, Sandeep Kumar, Sybren S Wijmenga, Wen-Jin Wu
18934	Chemical Shifts: 1 set	Binary complex of African Swine Fever Virus Pol X with MgdGTP	How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.	Chun-Wei Eric Wang, Frank HT Nelissen, Jian-Li Wu, Jurgen F Doreleijers, Liang-Hin Lim, Mei-I Su, Ming-Chuan Chad Chen, Ming-Daw Tsai, Sandeep Kumar, Sybren S Wijmenga, Wen-Jin Wu
18086	Chemical Shifts: 1 set	GhoS (YjdK) monomer	A new type V toxin-antitoxin system where mRNA for toxin GhoT is cleaved by antitoxin GhoS	C Quiroga, D M Lord, D O Osbourne, H Y Cheng, K Zheng, M J Benedik, R Page, S H Hong, T Herrmann, T K Wood, V Sanchez-Torres, W Peti, X Wang
17735	Chemical Shifts: 1 set	Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting, NESG target SfR339/OCSP target sf3636	Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting	Adelinda Yee, Aleksandras Gutmanas, Alexander Lemak, Anthony Semesi, Bin Wu, Cheryl H Arrowsmith, Hsiau-Wei Lee, James H Prestegard, Maite Garcia, Xianyang Fang, Yun-xing Wang
16027	Chemical Shifts: 1 set	ENHANCING THE ACTIVITY OF INSULIN BY STEREOSPECIFIC UNFOLDING	Enhancing the activity of a protein by stereospecific unfolding. The conformational life cycle of insulin and its evolutionary origins	B Xu, J Wittaker, K Huang, M A Weiss, P G Katsoyannis, Q X Hua, S H Wang, S Nakarawa, S Q Hu, W Jia
16026	Chemical Shifts: 1 set	ENHANCING THE ACTIVITY OF INSULIN BY STEREOSPECIFIC UNFOLDING	Enhancing the activity of a protein by stereospecific unfolding. The conformational life cycle of insulin and its evolutionary origins.	B Xu, J Wittaker, K Huang, M A Weiss, P G Katsoyannis, Q X Hua, S H Wang, S Nakarawa, S Q Hu, W Jia
15788	Chemical Shifts: 1 set	X-ray crystallographic and Solution State NMR Spectroscopic Investigations of NADP+ Binding to Ferredoxin-NADP Reductase (FPR) from Pseudomonas aeruginosa	X-ray Crystallographic and Solution State Nuclear Magnetic Resonance Spectroscopic Investigations of NADP(+) Binding to Ferredoxin NADP Reductase from Pseudomonas aeruginosa	An Wang, Ernst Schonbrunn, Huijong Han, Juan Carlos Rodriguez, Mario Rivera
15363	Chemical Shifts: 1 set	A D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C G Wang, C W Chi, F J Huang, H Jiang, L Liu, Q Wang, W H Du, X Shao, Y H Han, Y Wang
7397	Chemical Shifts: 1 set	Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C Chi, C Wang, F J Huang, H Jiang, L Liu, Q Wang, W Du, X G Shao, Y H Han, Y H Wang
7371	Chemical Shifts: 1 set	Solution NMR Structure: Northeast Structural Genomics Consortium Target SiR5	Northeast Structural Genomics Consortium Target SiR5	C Nwosu, C X Chen, G T Montelione, G VT Swapna, J Liu, K Cunningham, L -C Ma, L Wang, M C Baran, P Rossi, R Burkhard, R Xiao, T B Acton
15057	Chemical Shifts: 1 set	Solution Structrue of C-terminal Bromodomain of Brd4	Structural basis and binding properties of the second bromodomain of Brd4 with acetylated histone tails	B Ding, H Huang, J Wu, J Zhang, X Wang, Y Liu, Y Shi
7061	Chemical Shifts: 2 sets	NMR structure of talin-PTB in complex with PIPKI	Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin	J Qin, S Misra, X Kong, X Wang
6205	Chemical Shifts: 2 sets	1H chemical shift assignments for AbaB12-DKP-insulin	How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor.	A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6203	Chemical Shifts: 2 sets	1H chemical shift assignments for ThrB12-DKP-insulin	How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor.	A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6204	Chemical Shifts: 4 sets	1H chemical shift assignments for AlaB12-DKP-insulin	How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor.	A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6066	Chemical Shifts: 1 set	Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv	Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers	D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
6067	Chemical Shifts: 1 set	Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv	Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers	D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
5900	Chemical Shifts: 3 sets	NMR structure of 16th module of Immune Adherence Receptor, Cr1 (Cd35)	Backbone dynamics of complement control protein (CCP) modules reveals mobility in binding surfaces.	C Schmitz, D Uhrin, G M Black, J M O'Leary, J P Atkinson, K Bromek, M Krych, P N Barlow, S Uhrinova, X Wang
5386	Chemical Shifts: 2 sets Coupling Constants: 1 set	1H, 13C, 15N Chemical Shift Assignments of cNTnC and cTnI(147-163) in the cNTnC-cTnI(147-163)-Bepridil Ternary complex	Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin I147-163 and Bepridil	Brian D Sykes, Monica X Li, Xu Wang
4994	Chemical Shifts: 2 sets Coupling Constants: 1 set	Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing Drug EMD 57033	Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing drug EMD 57033	Brian D Sykes, Leo Spyracopoulos, Monica X Li, Murali Chandra, Norbert Beier, R John Solaro, Xu Wang
4615	Chemical Shifts: 1 set	Solution Structure of PAFP-S: A new Knottin-type Antifungal Peptide from the seeds of Phytolacca americana	Solution Structure of PAFP-S: A new Knottin-type Antifungal Peptide from the seeds of Phytolacca americana	D C Wang, G H Gao, J F Wang, J X Dai, W Liu, Y Zhang, Z Hu
4522	Residual Dipolar Couplings: 1 set	The restrained and minimized average NMR structure of MAP30.	Solution Structure of Anti-HIV-1 and Anti-Tumor Protein Map30: Structural Insights Into its Multiple Functions	I Palmer, J Jacob, N Neamati, S J Stahl, Y X Wang
4392	Chemical Shifts: 3 sets	Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscopy	Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscop	A H-J Wang, C Kaenzig, M Lee, X -L Yang