3E7M
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![BU of 3e7m by Molmil](/molmil-images/mine/3e7m) | Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ... | 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 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EPX
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![BU of 3epx by Molmil](/molmil-images/mine/3epx) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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3EMT
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![BU of 3emt by Molmil](/molmil-images/mine/3emt) | Crystal structure of the mimivirus NDK +Kpn-R107G double mutant complexed with dGDP | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-09-25 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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3E7S
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![BU of 3e7s by Molmil](/molmil-images/mine/3e7s) | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, 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 (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EJ8
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![BU of 3ej8 by Molmil](/molmil-images/mine/3ej8) | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | 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: | 2008-09-17 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3ELH
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![BU of 3elh by Molmil](/molmil-images/mine/3elh) | X-ray structure of Acanthamoeba ployphaga mimivirus nucleoside diphosphate kinase complexed with dUDP | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-09-22 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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3E6O
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![BU of 3e6o by Molmil](/molmil-images/mine/3e6o) | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, 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 (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | 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 (2.44 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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5Q0K
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![BU of 5q0k by Molmil](/molmil-images/mine/5q0k) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 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 (1.8 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
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5Q1A
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![BU of 5q1a by Molmil](/molmil-images/mine/5q1a) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide, 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 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
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3EHK
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![BU of 3ehk by Molmil](/molmil-images/mine/3ehk) | |
3EPW
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![BU of 3epw by Molmil](/molmil-images/mine/3epw) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol | Descriptor: | 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one, CALCIUM ION, IAG-nucleoside hydrolase, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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5Q19
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![BU of 5q19 by Molmil](/molmil-images/mine/5q19) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide, 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 (1.98 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
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3EGY
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![BU of 3egy by Molmil](/molmil-images/mine/3egy) | Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive conformation | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | Authors: | Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L. | Deposit date: | 2008-09-11 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation. Protein Sci., 18, 2009
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3ETM
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![BU of 3etm by Molmil](/molmil-images/mine/3etm) | Crystal structure of the mimivirus NDK +KPN-N62L-R107G triple mutant complexed with CDP | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-10-08 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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3E7G
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![BU of 3e7g by Molmil](/molmil-images/mine/3e7g) | Structure of human INOSOX with inhibitor AR-C95791 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-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: | 2008-08-18 | 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
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3EMW
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![BU of 3emw by Molmil](/molmil-images/mine/3emw) | Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 2 (SPSB2) in complex with a 20-residue VASA peptide | Descriptor: | 1,2-ETHANEDIOL, Peptide (VASA), SPRY domain-containing SOCS box protein 2 | Authors: | Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A.K, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-25 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4. J.Mol.Biol., 401, 2010
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3ENA
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![BU of 3ena by Molmil](/molmil-images/mine/3ena) | Crystal structure of the mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with dGDP | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-09-25 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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3EVO
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![BU of 3evo by Molmil](/molmil-images/mine/3evo) | Crystal structure of the Mimivirus NDK +Kpn mutant complexed with dTDP | Descriptor: | MAGNESIUM ION, Nucleoside diphosphate kinase, THYMIDINE-5'-DIPHOSPHATE | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-10-13 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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3FK3
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![BU of 3fk3 by Molmil](/molmil-images/mine/3fk3) | Structure of the Yeats Domain, Yaf9 | Descriptor: | Protein AF-9 homolog | Authors: | Wang, A.Y, Schulze, J.M, Skordalakes, E, Berger, J.M, Rine, J, Kobor, M.S. | Deposit date: | 2008-12-15 | Release date: | 2009-10-27 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Asf1-like structure of the conserved Yaf9 YEATS domain and role in H2A.Z deposition and acetylation Proc.Natl.Acad.Sci.USA, 106, 2009
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3FPO
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![BU of 3fpo by Molmil](/molmil-images/mine/3fpo) | |
3EZR
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![BU of 3ezr by Molmil](/molmil-images/mine/3ezr) | CDK-2 with indazole inhibitor 17 bound at its active site | Descriptor: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-10-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
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3A4U
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![BU of 3a4u by Molmil](/molmil-images/mine/3a4u) | Crystal structure of MCFD2 in complex with carbohydrate recognition domain of ERGIC-53 | Descriptor: | CALCIUM ION, GLYCEROL, Multiple coagulation factor deficiency protein 2, ... | Authors: | Nishio, M, Kamiya, Y, Mizushima, T, Wakatsuki, S, Sasakawa, H, Yamamoto, K, Uchiyama, S, Noda, M, McKay, A.R, Fukui, K, Hauri, H.P, Kato, K. | Deposit date: | 2009-07-17 | Release date: | 2010-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for the cooperative interplay between the two causative gene products of combined factor V and factor VIII deficiency. Proc.Natl.Acad.Sci.USA, 107, 2010
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3FKZ
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![BU of 3fkz by Molmil](/molmil-images/mine/3fkz) | X-ray structure of the non covalent swapped form of the S16G/T17N/A19P/A20S/K31C/S32C mutant of bovine pancreatic ribonuclease | Descriptor: | Ribonuclease pancreatic | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | Deposit date: | 2008-12-18 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants Biopolymers, 91, 2009
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3F0Y
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![BU of 3f0y by Molmil](/molmil-images/mine/3f0y) | Crystal structure of the human Adenovirus type 14 fiber knob | Descriptor: | Fiber protein, GLYCEROL, IMIDAZOLE | Authors: | Persson, B.D, Reiter, D.M, Arnberg, N, Stehle, T. | Deposit date: | 2008-10-27 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An arginine switch in the species B adenovirus knob determines high-affinity engagement of cellular receptor CD46 J.Virol., 83, 2009
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