1R5G
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![BU of 1r5g by Molmil](/molmil-images/mine/1r5g) | Crystal Structure of MetAP2 complexed with A311263 | 分子名称: | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Erickson, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | 登録日 | 2003-10-10 | 公開日 | 2004-10-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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2HOG
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![BU of 2hog by Molmil](/molmil-images/mine/2hog) | crystal structure of Chek1 in complex with inhibitor 20 | 分子名称: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2006-07-14 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6. Bioorg.Med.Chem.Lett., 16, 2006
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7KXD
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7KXE
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7L7C
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![BU of 7l7c by Molmil](/molmil-images/mine/7l7c) | |
7L76
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3O8X
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![BU of 3o8x by Molmil](/molmil-images/mine/3o8x) | Recognition of Glycolipid Antigen by iNKT Cell TCR | 分子名称: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Li, Y. | 登録日 | 2010-08-03 | 公開日 | 2010-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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3O9W
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![BU of 3o9w by Molmil](/molmil-images/mine/3o9w) | Recognition of a Glycolipid Antigen by the iNKT Cell TCR | 分子名称: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Li, Y. | 登録日 | 2010-08-04 | 公開日 | 2010-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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2FVD
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![BU of 2fvd by Molmil](/molmil-images/mine/2fvd) | Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor | 分子名称: | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2 | 著者 | Crowther, R.L, Lukacs, C.M, Kammlott, R.U. | 登録日 | 2006-01-30 | 公開日 | 2006-10-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J.Med.Chem., 49, 2006
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2UW0
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![BU of 2uw0 by Molmil](/molmil-images/mine/2uw0) | Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | 分子名称: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | 登録日 | 2007-03-15 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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2UW4
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![BU of 2uw4 by Molmil](/molmil-images/mine/2uw4) | Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine | 分子名称: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW5
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![BU of 2uw5 by Molmil](/molmil-images/mine/2uw5) | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | 分子名称: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW7
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![BU of 2uw7 by Molmil](/molmil-images/mine/2uw7) | Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | 分子名称: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2V2W
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![BU of 2v2w by Molmil](/molmil-images/mine/2v2w) | T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT | 分子名称: | BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Lee, J.K, Stewart-Jones, G, Dong, T, Harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, Van Der Merwe, P.A, Jones, E.Y, Mcmichael, A.J. | 登録日 | 2007-06-07 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement. J.Exp.Med., 200, 2004
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2V2X
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![BU of 2v2x by Molmil](/molmil-images/mine/2v2x) | T cell cross-reactivity and conformational changes during TCR engagement. | 分子名称: | BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J. | 登録日 | 2007-06-07 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement. J.Exp.Med., 200, 2004
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3D4Q
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![BU of 3d4q by Molmil](/molmil-images/mine/3d4q) | Pyrazole-based inhibitors of B-Raf kinase | 分子名称: | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, B-Raf proto-oncogene serine/threonine-protein kinase | 著者 | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | 登録日 | 2008-05-14 | 公開日 | 2008-08-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Potent and selective pyrazole-based inhibitors of B-Raf kinase. Bioorg.Med.Chem.Lett., 18, 2008
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4QGF
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4QGA
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4QGH
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![BU of 4qgh by Molmil](/molmil-images/mine/4qgh) | S.aureus TMK in complex with potent inhibitor compound 47 | 分子名称: | 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase | 著者 | Olivier, N.B. | 登録日 | 2014-05-22 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region. J.Med.Chem., 57, 2014
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2WG1
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![BU of 2wg1 by Molmil](/molmil-images/mine/2wg1) | TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | 登録日 | 2009-04-15 | 公開日 | 2009-08-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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4QGG
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2W6C
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![BU of 2w6c by Molmil](/molmil-images/mine/2w6c) | ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE | 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, 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol, ... | 著者 | Paz, A, Xie, Q, Greenblatt, H.M, Fu, W, Tang, Y, Silman, I, Qiu, Z, Sussman, J.L. | 登録日 | 2008-12-18 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | The Crystal Structure of a Complex of Acetylcholinesterase with a Bis-(-)-Nor-Meptazinol Derivative Reveals Disruption of the Catalytic Triad. J.Med.Chem., 52, 2009
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2WFZ
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![BU of 2wfz by Molmil](/molmil-images/mine/2wfz) | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN | 分子名称: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | 登録日 | 2009-04-15 | 公開日 | 2009-08-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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3I7G
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![BU of 3i7g by Molmil](/molmil-images/mine/3i7g) | MMP-13 in complex with a non zinc-chelating inhibitor | 分子名称: | 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ... | 著者 | Farrow, N.A. | 登録日 | 2009-07-08 | 公開日 | 2009-09-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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7JOU
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