3LXJ
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![BU of 3lxj by Molmil](/molmil-images/mine/3lxj) | Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B) | 分子名称: | ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL | 著者 | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-02-25 | 公開日 | 2010-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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8H61
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![BU of 8h61 by Molmil](/molmil-images/mine/8h61) | Ketoreductase CpKR mutant - M2 | 分子名称: | Mutant M2 of ketoreductase CpKR, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Chen, C, Pan, J, Xu, J.H. | 登録日 | 2022-10-14 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Computational redesign of a robust ketoreductase for asymmetric synthesis of enantiopure diltiazem precursor. To Be Published
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5DYA
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![BU of 5dya by Molmil](/molmil-images/mine/5dya) | Crystal structure of the human BRPF1 bromodomain in complex with SEED5 | 分子名称: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2015-09-24 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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4P13
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5EBG
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![BU of 5ebg by Molmil](/molmil-images/mine/5ebg) | Crystal structure of bovine CD8aa homodimer | 分子名称: | T-cell surface glycoprotein CD8 alpha chain | 著者 | Liu, Y, Li, X, Zhang, N, Qi, J, Xia, C. | 登録日 | 2015-10-19 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species. Sci Rep, 6, 2016
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1A7C
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![BU of 1a7c by Molmil](/molmil-images/mine/1a7c) | HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ... | 著者 | Xue, Y, Inghardt, T, Sjolin, L, Deinum, J. | 登録日 | 1998-03-12 | 公開日 | 1999-03-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide Structure, 6, 1998
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4P43
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8H4R
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![BU of 8h4r by Molmil](/molmil-images/mine/8h4r) | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ... | 著者 | Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z. | 登録日 | 2022-10-11 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus To Be Published
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1AE1
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![BU of 1ae1 by Molmil](/molmil-images/mine/1ae1) | TROPINONE REDUCTASE-I COMPLEX WITH NADP | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-I | 著者 | Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y. | 登録日 | 1997-10-23 | 公開日 | 1998-11-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold. Proc.Natl.Acad.Sci.USA, 95, 1998
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5DK8
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1AJ0
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![BU of 1aj0 by Molmil](/molmil-images/mine/1aj0) | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ... | 著者 | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | 登録日 | 1997-05-14 | 公開日 | 1998-05-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase. Nat.Struct.Biol., 4, 1997
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8HLG
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![BU of 8hlg by Molmil](/molmil-images/mine/8hlg) | Crystal structure of MoaE | 分子名称: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | 著者 | Cai, J, Zhao, Y. | 登録日 | 2022-11-30 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans. Int J Mol Sci, 24, 2023
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1WOH
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![BU of 1woh by Molmil](/molmil-images/mine/1woh) | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | 分子名称: | agmatinase | 著者 | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | 登録日 | 2004-08-18 | 公開日 | 2004-09-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily J.Biol.Chem., 279, 2004
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1AIL
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![BU of 1ail by Molmil](/molmil-images/mine/1ail) | N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS | 分子名称: | NONSTRUCTURAL PROTEIN NS1 | 著者 | Liu, J, Lynch, P.A, Chien, C, Montelione, G.T, Krug, R.M, Berman, H.M. | 登録日 | 1997-04-21 | 公開日 | 1997-10-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the unique RNA-binding domain of the influenza virus NS1 protein. Nat.Struct.Biol., 4, 1997
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4P3U
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4PEO
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![BU of 4peo by Molmil](/molmil-images/mine/4peo) | Crystal structure of a hypothetical protein from Staphylococcus aureus. | 分子名称: | Hypothetical protein | 著者 | McGrath, T.E, Kisselman, G, Romanov, V, Wu-Brown, J, Soloveychik, M, Chan, T.S.Y, Gordon, R.D, Thambipillai, D, Dharamsi, A, Mansoury, K, Battaile, K.P, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2014-04-24 | 公開日 | 2015-05-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Crystal structure of a hypothetical protein from Staphylococcus aureus. To Be Published
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4P4C
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![BU of 4p4c by Molmil](/molmil-images/mine/4p4c) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | 分子名称: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-03-12 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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1A4O
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![BU of 1a4o by Molmil](/molmil-images/mine/1a4o) | 14-3-3 PROTEIN ZETA ISOFORM | 分子名称: | 14-3-3 PROTEIN ZETA | 著者 | Liu, D, Bienkowska, J, Petosa, C, Collier, R.J, Fu, H, Liddington, R.C. | 登録日 | 1998-02-01 | 公開日 | 1999-03-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the zeta isoform of the 14-3-3 protein. Nature, 376, 1995
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5E8E
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![BU of 5e8e by Molmil](/molmil-images/mine/5e8e) | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | 著者 | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | 登録日 | 2015-10-14 | 公開日 | 2015-10-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and characterization of an antibody directed against exosite I of thrombin. J.Thromb.Haemost., 14, 2016
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1WSD
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![BU of 1wsd by Molmil](/molmil-images/mine/1wsd) | Alkaline M-protease form I crystal structure | 分子名称: | CALCIUM ION, M-protease, SULFATE ION | 著者 | Shirai, T, Suzuki, A, Yamane, T, Ashida, T, Kobayashi, T, Hitomi, J, Ito, S. | 登録日 | 2004-11-05 | 公開日 | 2004-11-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | High-resolution crystal structure of M-protease: phylogeny aided analysis of the high-alkaline adaptation mechanism Protein Eng., 10, 1997
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5E5W
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![BU of 5e5w by Molmil](/molmil-images/mine/5e5w) | Hemagglutinin-esterase-fusion mutant structure of influenza D virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | 著者 | Song, H, Qi, J, Shi, Y, Gao, G.F. | 登録日 | 2015-10-09 | 公開日 | 2016-03-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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5E93
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![BU of 5e93 by Molmil](/molmil-images/mine/5e93) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | 分子名称: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | 著者 | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | 登録日 | 2015-10-14 | 公開日 | 2016-10-19 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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5E78
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![BU of 5e78 by Molmil](/molmil-images/mine/5e78) | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | 分子名称: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | 著者 | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | 登録日 | 2015-10-12 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase. Biochim. Biophys. Acta, 1866, 2018
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4PGZ
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![BU of 4pgz by Molmil](/molmil-images/mine/4pgz) | Structural basis of KIT activation by oncogenic mutations in the extracellular region reveals a zipper-like mechanism for ligand-dependent or oncogenic receptor tyrosine kinase activation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Mast/stem cell growth factor receptor Kit | 著者 | Reshetnyak, A.V, Boggon, T.J, Lax, I, Schlessinger, J. | 登録日 | 2014-05-03 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The strength and cooperativity of KIT ectodomain contacts determine normal ligand-dependent stimulation or oncogenic activation in cancer. Mol.Cell, 57, 2015
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4P7E
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![BU of 4p7e by Molmil](/molmil-images/mine/4p7e) | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | 分子名称: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | 著者 | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | 登録日 | 2014-03-27 | 公開日 | 2014-11-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634. J.Med.Chem., 57, 2014
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