6WPA
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2WMT
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![BU of 2wmt by Molmil](/molmil-images/mine/2wmt) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMV
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![BU of 2wmv by Molmil](/molmil-images/mine/2wmv) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMS
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![BU of 2wms by Molmil](/molmil-images/mine/2wms) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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4DDJ
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4DAS
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![BU of 4das by Molmil](/molmil-images/mine/4das) | Crystal structure of Bullfrog M ferritin | 分子名称: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | 著者 | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | 登録日 | 2012-01-13 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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4G43
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![BU of 4g43 by Molmil](/molmil-images/mine/4g43) | Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ... | 著者 | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | 登録日 | 2012-07-16 | 公開日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | 主引用文献 | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
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3UOH
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![BU of 3uoh by Molmil](/molmil-images/mine/3uoh) | Aurora A in complex with RPM1722 | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2011-11-16 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8002 Å) | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOK
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![BU of 3uok by Molmil](/molmil-images/mine/3uok) | Aurora A in complex with YL5-81-1 | 分子名称: | 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2011-11-16 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9506 Å) | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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4DEG
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![BU of 4deg by Molmil](/molmil-images/mine/4deg) | Crystal structure of c-Met in complex with triazolopyridazine inhibitor 2 | 分子名称: | 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Bellon, S.F, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3V5V
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![BU of 3v5v by Molmil](/molmil-images/mine/3v5v) | UNLIGANDED E.CLOACAE C115D MURA | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | 登録日 | 2011-12-16 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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3ULV
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![BU of 3ulv by Molmil](/molmil-images/mine/3ulv) | Structure of quaternary complex of human TLR3ecd with three Fabs (Form2) | 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, Fab1068 heavy chain, ... | 著者 | Luo, J, Gilliland, G.L, Obmolova, O, Malia, T, Teplyakov, A. | 登録日 | 2011-11-11 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.522 Å) | 主引用文献 | Lateral Clustering of TLR3:dsRNA Signaling Units Revealed by TLR3ecd:3Fabs Quaternary Structure. J.Mol.Biol., 421, 2012
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4IE3
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![BU of 4ie3 by Molmil](/molmil-images/mine/4ie3) | Crystal structure of human Arginase-2 complexed with inhbitor 1o | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | 登録日 | 2012-12-13 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3522 Å) | 主引用文献 | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3UOL
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![BU of 3uol by Molmil](/molmil-images/mine/3uol) | Aurora A in complex with SO2-162 | 分子名称: | 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2011-11-16 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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4K3Z
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2WMQ
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![BU of 2wmq by Molmil](/molmil-images/mine/2wmq) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMX
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![BU of 2wmx by Molmil](/molmil-images/mine/2wmx) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WH0
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![BU of 2wh0 by Molmil](/molmil-images/mine/2wh0) | Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon | 分子名称: | 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ... | 著者 | Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q. | 登録日 | 2009-04-28 | 公開日 | 2009-08-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon. Embo Rep., 10, 2009
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4IE9
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![BU of 4ie9 by Molmil](/molmil-images/mine/4ie9) | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | 分子名称: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | 著者 | Dreyer, M.K, Schiffer, A, Lodge, J. | 登録日 | 2012-12-13 | 公開日 | 2013-05-01 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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3DV7
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2WMU
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![BU of 2wmu by Molmil](/molmil-images/mine/2wmu) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | 登録日 | 2009-07-03 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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4IK3
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![BU of 4ik3 by Molmil](/molmil-images/mine/4ik3) | High resolution structure of GCaMP3 at pH 8.5 | 分子名称: | CALCIUM ION, RCaMP, Green fluorescent protein | 著者 | Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G. | 登録日 | 2012-12-25 | 公開日 | 2014-01-29 | 最終更新日 | 2017-06-21 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement. Protein Cell, 4, 2013
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3DRT
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![BU of 3drt by Molmil](/molmil-images/mine/3drt) | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 | 分子名称: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ... | 著者 | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | 登録日 | 2008-07-11 | 公開日 | 2009-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5. J.Phys.Chem.B, 113, 2009
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4IE2
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![BU of 4ie2 by Molmil](/molmil-images/mine/4ie2) | Crystal structure of human Arginase-2 complexed with inhibitor 1h | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | 登録日 | 2012-12-13 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2082 Å) | 主引用文献 | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4J4M
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![BU of 4j4m by Molmil](/molmil-images/mine/4j4m) | Crystal structure of TM-1, a Trimeresurus mucrosquamatus venom metalloproteinase | 分子名称: | ZINC ION, zinc-dependent metalloproteinase | 著者 | Chou, T.L, Wu, C.H, Huang, K.F, Wang, A.H. | 登録日 | 2013-02-07 | 公開日 | 2013-07-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a Trimeresurus mucrosquamatus venom metalloproteinase providing new insights into the inhibition by endogenous tripeptide inhibitors. Toxicon, 71C, 2013
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