6H1H
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![BU of 6h1h by Molmil](/molmil-images/mine/6h1h) | Crystal structure of human Pirin in complex with compound 7 (PLX4720) | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | 著者 | Ali, S, Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-11 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Privileged Structures and Polypharmacology within and between Protein Families. ACS Med Chem Lett, 9, 2018
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4INS
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![BU of 4ins by Molmil](/molmil-images/mine/4ins) | THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 ANGSTROMS RESOLUTION | 分子名称: | INSULIN (CHAIN A), INSULIN (CHAIN B), ZINC ION | 著者 | Dodson, G.G, Dodson, E.J, Hodgkin, D.C, Isaacs, N.W, Vijayan, M. | 登録日 | 1989-07-10 | 公開日 | 1990-04-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The structure of 2Zn pig insulin crystals at 1.5 A resolution. Philos.Trans.R.Soc.London,Ser.B, 319, 1988
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6GQH
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![BU of 6gqh by Molmil](/molmil-images/mine/6gqh) | |
7WEE
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![BU of 7wee by Molmil](/molmil-images/mine/7wee) | |
7WEF
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![BU of 7wef by Molmil](/molmil-images/mine/7wef) | |
4OP7
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7FYF
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![BU of 7fyf by Molmil](/molmil-images/mine/7fyf) | Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine | 分子名称: | (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine, 1,2-ETHANEDIOL, FORMIC ACID, ... | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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7FX6
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![BU of 7fx6 by Molmil](/molmil-images/mine/7fx6) | Crystal Structure of human FABP4 in complex with N,N-diethyl-4-pyridin-4-yl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine | 分子名称: | (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine, Fatty acid-binding protein, adipocyte, ... | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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1XVP
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![BU of 1xvp by Molmil](/molmil-images/mine/1xvp) | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | 分子名称: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | 著者 | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | 登録日 | 2004-10-28 | 公開日 | 2004-12-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
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3OWL
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![BU of 3owl by Molmil](/molmil-images/mine/3owl) | Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor | 分子名称: | 11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION | 著者 | Reiser, J.-B, Prudent, R, Cochet, C. | 登録日 | 2010-09-20 | 公開日 | 2010-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res., 70, 2010
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1VAI
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![BU of 1vai by Molmil](/molmil-images/mine/1vai) | Structure of e. coli cyclophilin B K163T mutant bound to n-acetyl-ala-ala-pro-ala-7-amino-4-methylcoumarin | 分子名称: | (ACE)AAPA(MCM), cyclophilin B | 著者 | Konno, M, Sano, Y, Okudaira, K, Kawaguchi, Y, Yamagishi-Ohmori, Y, Fushinobu, S, Matsuzawa, H. | 登録日 | 2004-02-17 | 公開日 | 2004-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Escherichia coli cyclophilin B binds a highly distorted form of trans-prolyl peptide isomer Eur.J.Biochem., 271, 2004
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2BG8
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![BU of 2bg8 by Molmil](/molmil-images/mine/2bg8) | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. | 分子名称: | BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... | 著者 | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | 登録日 | 2004-12-17 | 公開日 | 2005-03-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
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7XAB
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![BU of 7xab by Molmil](/molmil-images/mine/7xab) | Crystal structure of PDE4D catalytic domain complexed with compound 22d | 分子名称: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2022-03-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.00067449 Å) | 主引用文献 | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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2C61
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![BU of 2c61 by Molmil](/molmil-images/mine/2c61) | Crystal structure of the non-catalytic B subunit of A-type ATPase from M. mazei Go1 | 分子名称: | A-TYPE ATP SYNTHASE NON-CATALYTIC SUBUNIT B | 著者 | Schaefer, I, Bailer, S.M, Dueser, M, Boersch, M, Bernal, R.A, Grueber, G, Stock, D. | 登録日 | 2005-11-06 | 公開日 | 2006-12-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of the Archaeal A1Ao ATP Synthase Subunit B from Methanosarcina Mazei Go1: Implications of Nucleotide-Binding Differences in the Major A1Ao Subunits a and B. Subunits a and B J.Mol.Biol., 358, 2006
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7XAA
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![BU of 7xaa by Molmil](/molmil-images/mine/7xaa) | Crystal structure of PDE4D catalytic domain complexed with compound 21d | 分子名称: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2022-03-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.100414 Å) | 主引用文献 | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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2OCT
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7FX8
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![BU of 7fx8 by Molmil](/molmil-images/mine/7fx8) | Crystal Structure of human FABP4 in complex with 4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | 分子名称: | (3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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7FXH
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![BU of 7fxh by Molmil](/molmil-images/mine/7fxh) | Crystal Structure of human FABP4 in complex with 2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | 分子名称: | (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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1RG4
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![BU of 1rg4 by Molmil](/molmil-images/mine/1rg4) | |
7FWY
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![BU of 7fwy by Molmil](/molmil-images/mine/7fwy) | Crystal Structure of human FABP4 in complex with 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic acid | 分子名称: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | 著者 | Ehler, A, Benz, J, Obst, U, Boehringer, M, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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7FXN
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![BU of 7fxn by Molmil](/molmil-images/mine/7fxn) | Crystal Structure of human FABP4 in complex with 2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | 分子名称: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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6HM1
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![BU of 6hm1 by Molmil](/molmil-images/mine/6hm1) | Structural and thermodynamic signatures of ligand binding to an enigmatic chitinase-D from Serratia proteamaculans | 分子名称: | 1,2-ETHANEDIOL, ALLOSAMIDIN, Glycoside hydrolase family 18 | 著者 | Madhuprakash, J, Dalhus, B, Vaaje-Kolstad, G, Eijsink, V.G.H, Sorlie, M. | 登録日 | 2018-09-11 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural and Thermodynamic Signatures of Ligand Binding to the Enigmatic Chitinase D of Serratia proteamaculans. J.Phys.Chem.B, 123, 2019
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4OR4
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![BU of 4or4 by Molmil](/molmil-images/mine/4or4) | |
2PHI
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![BU of 2phi by Molmil](/molmil-images/mine/2phi) | A LARGE CONFORMATIONAL CHANGE IS FOUND IN THE CRYSTAL STRUCTURE OF THE PORCINE PANCREATIC PHOSPHOLIPASE A2 POINT MUTANT F63V | 分子名称: | CALCIUM ION, PHOSPHOLIPASE A2 | 著者 | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | 登録日 | 1993-04-08 | 公開日 | 1993-07-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of a porcine pancreatic phospholipase A2 mutant. A large conformational change caused by the F63V point mutation. J.Mol.Biol., 232, 1993
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1L0L
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![BU of 1l0l by Molmil](/molmil-images/mine/1l0l) | structure of bovine mitochondrial cytochrome bc1 complex with a bound fungicide famoxadone | 分子名称: | Cytochrome B, Cytochrome c1, heme protein, ... | 著者 | Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D. | 登録日 | 2002-02-11 | 公開日 | 2003-04-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry, 41, 2003
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