7POD
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3EBF
| Structure of inhibited murine iNOS oxygenase domain | 分子名称: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | 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. | 登録日 | 2008-08-27 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E68
| Structure of murine INOS oxygenase domain with inhibitor AR-C130232 | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE, ... | 著者 | 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. | 登録日 | 2008-08-14 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1T3G
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3E7M
| Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ... | 著者 | 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. | 登録日 | 2008-08-18 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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7PMP
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1T6G
| Crystal structure of the Triticum aestivum xylanase inhibitor-I in complex with aspergillus niger xylanase-I | 分子名称: | Endo-1,4-beta-xylanase I, GLYCEROL, xylanase inhibitor | 著者 | Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | 登録日 | 2004-05-06 | 公開日 | 2004-09-28 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I J.Biol.Chem., 279, 2004
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7PQ4
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3E7S
| Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | 分子名称: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | 著者 | 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. | 登録日 | 2008-08-18 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1JPZ
| Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | 分子名称: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | 登録日 | 2001-08-03 | 公開日 | 2001-11-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Pivotal role of water in the mechanism of P450BM-3. Biochemistry, 40, 2001
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3EN6
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor | 分子名称: | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3EN7
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor | 分子名称: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | 著者 | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3EIL
| Structure of B-DNA d(CGTTAATTAACG)2 in the presence of Manganese | 分子名称: | 5'-D(*DCP*DGP*DTP*DTP*DAP*DAP*DTP*DTP*DAP*DAP*DCP*DG)-3', MANGANESE (II) ION | 著者 | Millonig, H, Pous, J, Campos, L.J, Subirana, J.A. | 登録日 | 2008-09-16 | 公開日 | 2009-06-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The interaction of manganese ions with DNA J.Inorg.Biochem., 103, 2009
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3EJ8
| Structure of double mutant of human iNOS oxygenase domain with bound immidazole | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | 著者 | 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. | 登録日 | 2008-09-17 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1TQJ
| Crystal structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 angstrom resolution | 分子名称: | Ribulose-phosphate 3-epimerase | 著者 | Wise, E.L, Akana, J, Gerlt, J.A, Rayment, I. | 登録日 | 2004-06-17 | 公開日 | 2004-08-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 A resolution. Acta Crystallogr.,Sect.D, 60, 2004
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3E6O
| Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | 著者 | 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. | 登録日 | 2008-08-15 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EAH
| Structure of inhibited human eNOS oxygenase domain | 分子名称: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | 著者 | 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. | 登録日 | 2008-08-25 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3ENE
| Complex of PI3K gamma with an inhibitor | 分子名称: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases Nat.Chem.Biol., 4, 2008
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1TZZ
| Crystal structure of the protein L1841, unknown member of enolase superfamily from Bradyrhizobium japonicum | 分子名称: | Hypothetical protein L1841, MAGNESIUM ION | 著者 | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2004-07-12 | 公開日 | 2004-10-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystal structure of the protein L1841, unknown member of enolase superfamily from Bradyrhizobium japonicum To be Published
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7QGI
| Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10 | 分子名称: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION | 著者 | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | 登録日 | 2021-12-08 | 公開日 | 2022-01-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res., 51, 2023
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7QGP
| STK10 (LOK) bound to Macrocycle CKJB51 | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ... | 著者 | Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-12-09 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | STK10 bound to CKJB51 To Be Published
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7QIF
| Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | 著者 | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | 登録日 | 2021-12-14 | 公開日 | 2022-02-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res., 51, 2023
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7QUE
| The STK17A (DRAK1) Kinase Domain Bound to CKJB68 | 分子名称: | Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | 著者 | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S. | 登録日 | 2022-01-17 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles. J.Med.Chem., 65, 2022
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1UED
| Crystal Structure of OxyC a Cytochrome P450 Implicated in an Oxidative C-C Coupling Reaction During Vancomycin Biosynthesis. | 分子名称: | DI(HYDROXYETHYL)ETHER, P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Pylypenko, O, Vitali, F, Zerbe, K, Robinson, J.A, Schlichting, I. | 登録日 | 2003-05-11 | 公開日 | 2003-12-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of OxyC, a cytochrome P450 implicated in an oxidative C-C coupling reaction during vancomycin biosynthesis J.Biol.Chem., 278, 2003
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1TR1
| CRYSTAL STRUCTURE OF E96K MUTATED BETA-GLUCOSIDASE A FROM BACILLUS POLYMYXA, AN ENZYME WITH INCREASED THERMORESISTANCE | 分子名称: | BETA-GLUCOSIDASE A, GLYCEROL | 著者 | Sanz-Aparicio, J, Hermoso, J.A, Martinez-Ripoll, M, Gonzalez-Perez, B, Polaina, J. | 登録日 | 1998-03-12 | 公開日 | 1999-04-20 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of beta-glucosidase A from Bacillus polymyxa: insights into the catalytic activity in family 1 glycosyl hydrolases. J.Mol.Biol., 275, 1998
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