6XP5
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![BU of 6xp5 by Molmil](/molmil-images/mine/6xp5) | Head-Middle module of Mediator | 分子名称: | HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ... | 著者 | Zhang, H.Q, Chen, D.C, Kornberg, R.D. | 登録日 | 2020-07-08 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Mediator structure and conformation change. Mol.Cell, 81, 2021
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2FD6
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![BU of 2fd6 by Molmil](/molmil-images/mine/2fd6) | Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and an anti-upar antibody at 1.9 A | 分子名称: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | 著者 | Huang, M, Huai, Q, Li, Y. | 登録日 | 2005-12-13 | 公開日 | 2006-02-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of human urokinase plasminogen activator in complex with its receptor Science, 311, 2006
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6YAT
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![BU of 6yat by Molmil](/molmil-images/mine/6yat) | Crystal structure of STK4 (MST1) in complex with compound 6 | 分子名称: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | 著者 | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-03-13 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 65, 2022
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3EY4
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![BU of 3ey4 by Molmil](/molmil-images/mine/3ey4) | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model | 分子名称: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, J.D, Jordan, S.R, Li, V. | 登録日 | 2008-10-17 | 公開日 | 2008-11-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model To be Published, 2008
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5JVY
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![BU of 5jvy by Molmil](/molmil-images/mine/5jvy) | Crystal structure of S121P murine COX-2 mutant | 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, ACRYLIC ACID, ... | 著者 | Orlando, B.J, Malkowski, M.G, Dong, L. | 登録日 | 2016-05-11 | 公開日 | 2016-10-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5JVZ
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![BU of 5jvz by Molmil](/molmil-images/mine/5jvz) | |
5JW1
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![BU of 5jw1 by Molmil](/molmil-images/mine/5jw1) | Crystal structure of Celecoxib bound to S121P murine COX-2 mutant | 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, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | 著者 | Malkowski, M.G, Orlando, B.J. | 登録日 | 2016-05-11 | 公開日 | 2016-10-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.822 Å) | 主引用文献 | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5BRR
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![BU of 5brr by Molmil](/molmil-images/mine/5brr) | Michaelis complex of tPA-S195A:PAI-1 | 分子名称: | GLYCEROL, Plasminogen activator inhibitor 1, TRIETHYLENE GLYCOL, ... | 著者 | Gong, L. | 登録日 | 2015-06-01 | 公開日 | 2015-09-02 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | 主引用文献 | Crystal Structure of the Michaelis Complex between Tissue-type Plasminogen Activator and Plasminogen Activators Inhibitor-1 J.Biol.Chem., 290, 2015
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7JMN
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![BU of 7jmn by Molmil](/molmil-images/mine/7jmn) | Tail module of Mediator complex | 分子名称: | MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ... | 著者 | Zhang, H.Q, Chen, D.C. | 登録日 | 2020-08-02 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | 主引用文献 | Mediator structure and conformation change. Mol.Cell, 81, 2021
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5YQN
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![BU of 5yqn by Molmil](/molmil-images/mine/5yqn) | Crystal structure of Sirt2 in complex with selective inhibitor L55 | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQO
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![BU of 5yqo by Molmil](/molmil-images/mine/5yqo) | Crystal structure of Sirt2 in complex with selective inhibitor L5C | 分子名称: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQL
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![BU of 5yql by Molmil](/molmil-images/mine/5yql) | Crystal structure of Sirt2 in complex with selective inhibitor A2I | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQM
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![BU of 5yqm by Molmil](/molmil-images/mine/5yqm) | Crystal structure of Sirt2 in complex with selective inhibitor A29 | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.735 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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3OY6
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![BU of 3oy6 by Molmil](/molmil-images/mine/3oy6) | |
3OY5
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![BU of 3oy5 by Molmil](/molmil-images/mine/3oy5) | |
3OX7
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![BU of 3ox7 by Molmil](/molmil-images/mine/3ox7) | The crystal structure of uPA complex with peptide inhibitor MH027 at pH4.6 | 分子名称: | MH027, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Jiang, L.G, Andreasen, P.A, Huang, M.D. | 登録日 | 2010-09-21 | 公開日 | 2011-08-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The binding mechanism of a peptidic cyclic serine protease inhibitor J.Mol.Biol., 412, 2011
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3QN7
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![BU of 3qn7 by Molmil](/molmil-images/mine/3qn7) | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | 分子名称: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | 著者 | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | 登録日 | 2011-02-08 | 公開日 | 2012-02-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bicyclic peptide inhibitor reveals large contact interface with a protease target Acs Chem.Biol., 7, 2012
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5H7V
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![BU of 5h7v by Molmil](/molmil-images/mine/5h7v) | |
3KK6
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![BU of 3kk6 by Molmil](/molmil-images/mine/3kk6) | Crystal Structure of Cyclooxygenase-1 in complex with celecoxib | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ... | 著者 | Sidhu, R.S. | 登録日 | 2009-11-04 | 公開日 | 2009-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1. Proc.Natl.Acad.Sci.USA, 107, 2010
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3PB1
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![BU of 3pb1 by Molmil](/molmil-images/mine/3pb1) | Crystal Structure of a Michaelis Complex between Plasminogen Activator Inhibitor-1 and Urokinase-type Plasminogen Activator | 分子名称: | Plasminogen activator inhibitor 1, Plasminogen activator, urokinase, ... | 著者 | Lin, Z, Jiang, L, Huang, M, Structure 2 Function Project (S2F) | 登録日 | 2010-10-20 | 公開日 | 2010-12-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for recognition of urokinase-type plasminogen activator by plasminogen activator inhibitor-1. J.Biol.Chem., 286, 2011
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7FBA
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![BU of 7fba by Molmil](/molmil-images/mine/7fba) | De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd2 | 分子名称: | ALA-LE1-CYS-GLU-CYS-GLY-PRO-THR-ARG-GLU-CYS-LYS-NH2, GLU-CYS-ARG-GLU-TYR-GLY-PRO-LE1-LYS-LE1-LE1-ALA-NH2 | 著者 | Yao, H, Yao, S, Moyer, A, Zheng, Y, Baker, D, Wu, C. | 登録日 | 2021-07-08 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design and directed folding of disulfide-bridged peptide heterodimers. Nat Commun, 13, 2022
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7FB8
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![BU of 7fb8 by Molmil](/molmil-images/mine/7fb8) | De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1 | 分子名称: | ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2 | 著者 | Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C. | 登録日 | 2021-07-08 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design and directed folding of disulfide-bridged peptide heterodimers. Nat Commun, 13, 2022
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5XG4
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![BU of 5xg4 by Molmil](/molmil-images/mine/5xg4) | Crystal structure of uPA in complex with quercetin | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Urokinase-type plasminogen activator | 著者 | Jiang, L, Huang, M. | 登録日 | 2017-04-11 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A structural mechanism of flavonoids in inhibiting serine proteases Food Funct, 8, 2017
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5YC6
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![BU of 5yc6 by Molmil](/molmil-images/mine/5yc6) | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | 登録日 | 2017-09-06 | 公開日 | 2018-10-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 8, 2018
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5YC7
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![BU of 5yc7 by Molmil](/molmil-images/mine/5yc7) | |