5EHI
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6T4C
| Bovine enterovirus F3 in complex with glutathione | 分子名称: | GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | 登録日 | 2019-10-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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6T40
| Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide | 分子名称: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | 登録日 | 2019-10-11 | 公開日 | 2020-08-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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5E9Q
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1Z23
| The serine-rich domain from Crk-associated substrate (p130Cas) | 分子名称: | CRK-associated substrate | 著者 | Briknarova, K, Nasertorabi, F, Havert, M.L, Eggleston, E, Hoyt, D.W, Li, C, Olson, A.J, Vuori, K, Ely, K.R. | 登録日 | 2005-03-07 | 公開日 | 2005-04-05 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The serine-rich domain from Crk-associated substrate (p130cas) is a four-helix bundle. J.Biol.Chem., 280, 2005
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6T48
| Bovine enterovirus F3 in complex with glutathione and a Cysteinylglycine dipeptide | 分子名称: | CHLORIDE ION, CYSTEINE, GLUTATHIONE, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | 登録日 | 2019-10-12 | 公開日 | 2020-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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5EC8
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3C3U
| Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | 分子名称: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Dhagat, U, El-Kabbani, O. | 登録日 | 2008-01-28 | 公開日 | 2008-08-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid J.Med.Chem., 51, 2008
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1XJB
| Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C2, ... | 著者 | Couture, J.-F, Pereira de Jesus-Tran, K, Roy, A.-M, Legrand, P, Cantin, L, Cote, P.-L, Luu-The, V, Labrie, F, Breton, R. | 登録日 | 2004-09-23 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Comparison of crystal structures of human type 3 3alpha-hydroxysteroid dehydrogenase reveals an "induced-fit" mechanism and a conserved basic motif involved in the binding of androgen Protein Sci., 14, 2005
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6IJX
| Crystal Structure of AKR1C1 complexed with meclofenamic acid | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | 登録日 | 2018-10-12 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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2IPJ
| Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone | 分子名称: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | 著者 | Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R. | 登録日 | 2006-10-12 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding. J.Mol.Biol., 369, 2007
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3NTY
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2HDJ
| Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H) | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | 登録日 | 2006-06-20 | 公開日 | 2006-12-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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1MRQ
| Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone | 分子名称: | Aldo-keto reductase family 1 member C1, BETA-MERCAPTOETHANOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Couture, J.F, Legrand, P, Cantin, L, Luu-The, V, Labrie, F, Breton, R. | 登録日 | 2002-09-18 | 公開日 | 2003-09-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Human 20alpha-hydroxysteroid dehydrogenase: crystallographic and site-directed mutagenesis studies lead to the identification of an alternative binding site for C21-steroids. J.Mol.Biol., 331, 2003
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3O5U
| Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | 分子名称: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | 著者 | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | 登録日 | 2010-07-28 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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1G86
| CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX | 分子名称: | CHARCOT-LEYDEN CRYSTAL PROTEIN, N-ETHYLMALEIMIDE | 著者 | Ackerman, S.J, Liu, L, Kwatia, M.A, Savage, M.P, Leonidas, D.D, Swaminathan, G.J, Acharya, K.R. | 登録日 | 2000-11-16 | 公開日 | 2002-06-19 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Charcot-Leyden crystal protein (galectin-10) is not a dual function galectin with lysophospholipase activity but binds a lysophospholipase inhibitor in a novel structural fashion. J.Biol.Chem., 277, 2002
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1H9L
| PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH | 分子名称: | CALCIUM ION, ELASTASE, PEPTIDE INHIBITOR, ... | 著者 | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | 登録日 | 2001-03-13 | 公開日 | 2001-11-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Kinetic and Crystallographic Analysis of Complexes Formed between Elastase and Peptides from Beta-Casein Eur.J.Biochem., 268, 2001
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5DB0
| Menin in complex with MI-352 | 分子名称: | 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DD9
| Menin in complex with MI-326 | 分子名称: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DB3
| Menin in complex with MI-574 | 分子名称: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5D29
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | 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-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | 著者 | Barinka, C, Novakova, Z, Pavlicek, J. | 登録日 | 2015-08-05 | 公開日 | 2016-04-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem., 59, 2016
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5D9E
| Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II | 分子名称: | CHLORIDE ION, Caulosegnin II | 著者 | Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A. | 登録日 | 2015-08-18 | 公開日 | 2016-02-17 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (0.859 Å) | 主引用文献 | The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II. Mol Biosyst, 12, 2016
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5DDD
| menin in complex with MI-836 | 分子名称: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5CY2
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5DB2
| Menin in complex with MI-389 | 分子名称: | 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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