7MFH
 
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | 分子名称: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-04-09 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | 著者 | Ruiz, F.X, Arnold, E. | | 登録日 | 2020-12-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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6UH1
 | | Structure of the EVA71 strain 11316 capsid | | 分子名称: | SPHINGOSINE, VP1, VP2, ... | | 著者 | Lee, H, Hafenstein, S. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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8SVF
 | | BAP1/ASXL1 bound to the H2AK119Ub Nucleosome | | 分子名称: | DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ... | | 著者 | Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J. | | 登録日 | 2023-05-16 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1.
Sci Adv, 9, 2023
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2PJT
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | | 分子名称: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | | 著者 | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | | 登録日 | 2007-04-16 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
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7RPV
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1FGI
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6UH7
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6UH6
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3E88
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8C
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E87
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8D
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8E
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | 登録日 | 2011-10-21 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.939 Å) | | 主引用文献 | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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3TK3
 | | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-08-25 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8001 Å) | | 主引用文献 | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
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5I9E
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3T10
 | | HSP90 N-terminal domain bound to ACP | | 分子名称: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 著者 | Li, J. | | 登録日 | 2011-07-21 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
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3T0Z
 | | Hsp90 N-terminal domain bound to ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Li, J. | | 登録日 | 2011-07-21 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.192 Å) | | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
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3T0H
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5KDT
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | | 分子名称: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-06-08 | | 公開日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
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5GY3
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7FAS
 | | VAR2CSA 3D7 ectodomain core region | | 分子名称: | Erythrocyte membrane protein 1, PfEMP1 | | 著者 | Wang, L, Zhaoning, W. | | 登録日 | 2021-07-07 | | 公開日 | 2021-11-17 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
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6E66
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6LR0
 | | structure of human bile salt exporter ABCB11 | | 分子名称: | Bile salt export pump | | 著者 | Wang, L, Hou, W.T, Chen, L, Jiang, Y.L, Xu, D, Sun, L.F, Zhou, C.Z, Chen, Y. | | 登録日 | 2020-01-15 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-01-18 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structure of human bile salts exporter ABCB11.
Cell Res., 30, 2020
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