3E6N
 
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3EAI
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-25 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3EIC
 | | X-ray structure of Acanthamoeba ployphaga mimivirus nucleoside diphosphate kinase complexed with UDP | | Descriptor: | MAGNESIUM ION, Nucleoside diphosphate kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-09-15 | | Release date: | 2009-06-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
|
|
3EJM
 | | Crystal structure of the mimivirus NDK +Kpn mutant complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-09-18 | | Release date: | 2009-08-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
|
|
3DG1
 | | Segment SSTNVG derived from IAPP | | Descriptor: | SSTNVG from Islet Amyloid Polypeptide | | Authors: | Wiltzius, J.J, Sievers, S.A, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2008-06-12 | | Release date: | 2008-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Atomic structure of the cross-beta spine of islet amyloid polypeptide (amylin).
Protein Sci., 17, 2008
|
|
5Q1B
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
|
|
3H3C
 | | Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog | | Descriptor: | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION | | Authors: | Han, S, Mistry, A. | | Deposit date: | 2009-04-16 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3H80
 | | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 | | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ... | | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
To be Published
|
|
3GTJ
 | | Backtracked RNA polymerase II complex with 13mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3H87
 | | Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
|
|
3DBV
 | | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+ | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | | Deposit date: | 1997-01-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
|
|
3E7I
 | | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3E7T
 | | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3EE3
 | | Crystal structure of Acanthamoeba polyphaga mimivirus nucleoside diphosphate kinase complexed with CDP | | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-09-04 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
|
|
3E67
 | | Murine inos dimer with inhibitor 4-MAP bound | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3E6T
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3DMH
 | | T. Thermophilus 16S rRNA N2 G1207 methyltransferase (RsmC) in complex with AdoMet and Guanosine | | Descriptor: | GUANOSINE, Probable ribosomal RNA small subunit methyltransferase, S-ADENOSYLMETHIONINE, ... | | Authors: | Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2008-07-01 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of the Thermus thermophilus 16 S rRNA Methyltransferase RsmC in Complex with Cofactor and Substrate Guanosine.
J.Biol.Chem., 283, 2008
|
|
3GSH
 | | Three-dimensional structure of a post translational modified barley LTP1 | | Descriptor: | (12E)-10-oxooctadec-12-enoic acid, Non-specific lipid-transfer protein 1, SODIUM ION, ... | | Authors: | Lascombe, M.B, Prange, T, Bakan, B, Marion, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-12-15 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of oxylipin-conjugated barley LTP1 highlights the unique plasticity of the hydrophobic cavity of these plant lipid-binding proteins.
Biochem.Biophys.Res.Commun., 390, 2009
|
|
3GTK
 | | Backtracked RNA polymerase II complex with 18mer RNA | | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3GRF
 | |
3GTP
 | | Backtracked RNA polymerase II complex with 24mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3GXY
 | | Crystal structure of cyanovirin-n complexed to a synthetic hexamannoside | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cyanovirin-N, MAGNESIUM ION, ... | | Authors: | Botos, I, O'Keefe, B.R, Shenoy, S.R, Seeberger, P.H, Boyd, M.R, Wlodawer, A. | | Deposit date: | 2009-04-03 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the complexes of a potent anti-HIV protein cyanovirin-n and high mannose oligosaccharides
J.Biol.Chem., 277, 2002
|
|
3EVM
 | | Crystal structure of the Mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with dCDP | | Descriptor: | DEOXYCYTIDINE DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-10-13 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
|
|
3EXV
 | |
