3E6L
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![BU of 3e6l by Molmil](/molmil-images/mine/3e6l) | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, 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 (2.3 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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3MN3
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6Q9S
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![BU of 6q9s by Molmil](/molmil-images/mine/6q9s) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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3M36
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6Z6A
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![BU of 6z6a by Molmil](/molmil-images/mine/6z6a) | Keap1 macrocycle complex | 分子名称: | (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | 著者 | Johansson, P. | 登録日 | 2020-05-28 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Mining Natural Products for Macrocycles to Drug Difficult Targets. J.Med.Chem., 64, 2021
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3EHM
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![BU of 3ehm by Molmil](/molmil-images/mine/3ehm) | Structure of BT1043 | 分子名称: | 1,2-ETHANEDIOL, SusD homolog | 著者 | Koropatkin, N.M, Smith, T.J. | 登録日 | 2008-09-13 | 公開日 | 2009-05-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of a SusD homologue, BT1043, involved in mucin O-glycan utilization in a prominent human gut symbiont. Biochemistry, 48, 2009
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3EDF
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | 分子名称: | 4-METHYLPYRIDIN-2-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, 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 (2.6 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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3E6T
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![BU of 3e6t by Molmil](/molmil-images/mine/3e6t) | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | 分子名称: | 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, ... | 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 (2.5 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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3E7F
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![BU of 3e7f by Molmil](/molmil-images/mine/3e7f) | Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed with 6-phosphogluconic acid | 分子名称: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconolactonase, ZINC ION | 著者 | Poggi, L, Delarue, M, Duclert-Savatier, N, Stoven, V. | 登録日 | 2008-08-18 | 公開日 | 2009-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. J.Mol.Biol., 388, 2009
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3MV3
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![BU of 3mv3 by Molmil](/molmil-images/mine/3mv3) | Crystal Structure of a-COP in Complex with e-COP | 分子名称: | Coatomer subunit alpha, Coatomer subunit epsilon | 著者 | Hoelz, A, Hsia, K.C. | 登録日 | 2010-05-03 | 公開日 | 2010-06-16 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Crystal structure of alpha-COP in complex with epsilon-COP provides insight into the architecture of the COPI vesicular coat. Proc.Natl.Acad.Sci.USA, 107, 2010
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3CRM
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3MTK
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![BU of 3mtk by Molmil](/molmil-images/mine/3mtk) | X-Ray Structure of Diguanylate cyclase/phosphodiesterase from Caldicellulosiruptor saccharolyticus, Northeast Structural Genomics Consortium Target ClR27C | 分子名称: | Diguanylate cyclase/phosphodiesterase | 著者 | Kuzin, A, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-04-30 | 公開日 | 2010-06-02 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Northeast Structural Genomics Consortium Target ClR27C To be Published
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6ZHK
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![BU of 6zhk by Molmil](/molmil-images/mine/6zhk) | Crystal structure of adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Methanocaldococcus jannaschii DSM 2661 | 分子名称: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION | 著者 | Boyko, K.M, Nikolaeva, T.N, Stekhanova, T.N, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O. | 登録日 | 2020-06-23 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-Dimensional Structure of Thermostable D-Amino Acid Transaminase from the Archaeon Methanocaldococcus jannaschii DSM 2661 Crystallography Reports, 2021
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3CS7
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![BU of 3cs7 by Molmil](/molmil-images/mine/3cs7) | FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | 分子名称: | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one, CALCIUM ION, Coagulation factor X | 著者 | Alexander, R.S. | 登録日 | 2008-04-09 | 公開日 | 2008-07-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg.Med.Chem.Lett., 18, 2008
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3MW1
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![BU of 3mw1 by Molmil](/molmil-images/mine/3mw1) | p38 kinase Crystal structure in complex with small molecule inhibitor | 分子名称: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | 著者 | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | 登録日 | 2010-05-05 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase J.Med.Chem., 54, 2011
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6Q96
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6QFG
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![BU of 6qfg by Molmil](/molmil-images/mine/6qfg) | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144 | 分子名称: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | 著者 | Thorpe, J.H. | 登録日 | 2019-01-10 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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3CN2
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3N37
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![BU of 3n37 by Molmil](/molmil-images/mine/3n37) | Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli | 分子名称: | GLYCEROL, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase 2 subunit beta | 著者 | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | 登録日 | 2010-05-19 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural basis for activation of class Ib ribonucleotide reductase. Science, 329, 2010
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6QJN
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3CRQ
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6Z1X
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3CJW
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6PZ5
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![BU of 6pz5 by Molmil](/molmil-images/mine/6pz5) | Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B*27:03 alpha chain, ... | 著者 | Gras, S. | 登録日 | 2019-07-31 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation. J.Biol.Chem., 294, 2019
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