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Entry ID	Data summary	Entry Title	Citation Title	Authors
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
27580	Chemical Shifts: 1 set	Backbone 1H, 15N and 13C Chemical shifts of N-terminal domain of antitoxin VapB46 from Mycobacterium tuberculosis	Structural characterization of VapB46 antitoxin from Mycobacterium tuberculosis: insights into VapB46-DNA binding.	Amit Kumar K Das, Anirban Bhunia, Anirban Kundu, Madhurima Roy, Soumya De, Sujoy Das Gupta
34146	Chemical Shifts: 1 set	Solution Structure of the N-terminal Region of Dkk4	Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins	A Cargo, A J Henry, A M Barkell, C Doyle, C E Prosser, D Gupta, F W Muskett, G Holdsworth, L C Waters, M D Carr, M K Robinson, P M Slocombe, P S Renshaw, P W Addis, R J Taylor, S Bruton, S L Strong, S Patel
30047	Chemical Shifts: 1 set	Solution structure of Ras Binding Domain (RBD) of B-Raf	A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.	A K Aggarwal, C Guha, D Mulholland, E P Reddy, I Basu, J R Hart, K Dutta, L Ueno, M V Reddy, P K Vogt, R Vasquez-Del Carpio, S C Cosenza, S J Baker, S K Athuluri-Divakar, Y K Gupta
30048	Chemical Shifts: 1 set	Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I)	A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling	A K Aggarwal, C Guha, D Mulholland, E P Reddy, I Basu, J R Hart, K Dutta, L Ueno, M V Reddy, P K Vogt, R Vasquez-Del Carpio, S C Cosenza, S J Baker, S K Athuluri-Divakar, Y K Gupta
30050	Chemical Shifts: 1 set	Solution structure of Ras Binding Domain (RBD) of B-Raf	A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling	A K Aggarwal, C Guha, D Mulholland, E P Reddy, I Basu, J R Hart, K Dutta, L Ueno, M V Reddy, P K Vogt, R Vasquez-Del Carpio, S C Cosenza, S J Baker, S K Athuluri-Divakar, Y K Gupta
18868	Chemical Shifts: 5 sets	Interaction of Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE)	Interaction of the S100A6 mutant (C3S) with the V domain of the receptor for advanced glycation end products (RAGE)	Arun A Gupta, Chin Yu, Sepuru K Mohan
18854	Chemical Shifts: 1 set	1H,15N and 13C backbone chemical shifts of Human Halo S100A6 C3S	1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1.	Arun A Gupta, Sepuru K Mohan, Yu Chin
18101	Chemical Shifts: 1 set	1H,15N and 13C backbone and side chain chemical shifts of Human Halo S100A1	1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1.	Arun A Gupta, Sepuru K Mohan, Yu Chin
17866	Chemical Shifts: 1 set	1H,15N and 13C backbone and side chain chemical shifts of human halo S100P	1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1.	Arun A Gupta, Sepuru K Mohan, Yu Chin
6922	Chemical Shifts: 1 set Residual Dipolar Couplings: 1 set	Solution structure of the Vts1 SAM domain in the presence of RNA	Solution Structure of the Vts1 SAM Domain in the Presence of RNA	Aneel K Aggarwal, Arthur G Palmer, Joel A Butterwick, Lei Zeng, Robin P Wharton, Thomas A Edwards, Xin Wang, Yogesh K Gupta
6049	Chemical Shifts: 1 set	Solution Structure of Human alpha-Parvalbumin (Minimized Average Structure)	Paramagnetism-based Refinement Strategy for the Solution Structure of Human alpha-Parvalbumin	A Quattrone, C Del Bianco, C Luchinat, I Baig, I Bertini, Y K Gupta, Y-M Lee
956	Chemical Shifts: 1 set	Pulsed NMR Study of the Structure of Cytochrome c	Pulsed NMR Study of the Structure of Cytochrome c	Alfred G Redfield, Raj K Gupta
957	Chemical Shifts: 1 set	Pulsed NMR Study of the Structure of Cytochrome c	Pulsed NMR Study of the Structure of Cytochrome c	Alfred G Redfield, Raj K Gupta