PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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7JT5	Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 9 分子名称: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ... 著者 Pederick, J.P, Bruning, J.B. 登録日 2020-08-17 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents. Acs Chem.Biol., 16, 2021
7K1I	EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063 分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... 著者 Beyett, T.S, Eck, M.J. 登録日 2020-09-07 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.202 Å) 主引用文献 Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors Nat Commun, 13, 2022
7JZB	Dihydrodipicolinate synthase S48W with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-01 公開日 2021-09-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZC	Dihydrodipicolinate synthase S48W mutant with lysine in the allosteric site, and pyruvate in the catalytic site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZD	Dihydrodipicolinate synthase mutation S48W with Lysine in the allosteric site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZA	Dihydrodipicolinate synthase S48F mutant with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde in the catalytic site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, LYSINE, ... 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-01 公開日 2021-09-22 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZG	Dihydrodipicolinate synthase mutant S48F with lysine in the allosteric site and pyruvate in the catalytic site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, LYSINE, ... 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZF	Dihydrodipicolinate synthase mutant S48F with pyruvate in the catalytic site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZ9	Dihydrodipicolinate synthase S48F with pyruvate and succinic semi-aldehyde 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-01 公開日 2021-09-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7K0U	Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536 分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 著者 Karim, M.R, Schonbrunn, E. 登録日 2020-09-06 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
7K1P	Crystal structure of the second bromodomain (BD2) of human TAF1 bound to bromosporine 分子名称: 1,2-ETHANEDIOL, Bromosporine, Transcription initiation factor TFIID subunit 1 著者 Karim, M.R, Schonbrunn, E. 登録日 2020-09-08 公開日 2021-09-22 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
7K6F	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Karim, M.R, Bikowitz, M.J, Schonbrunn, E. 登録日 2020-09-20 公開日 2021-09-22 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
7K87	The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436 分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... 著者 Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. 登録日 2020-09-25 公開日 2021-09-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
7JZE	Dihydrodipicolinate synthase mutant S48W 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7K77	The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025 分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... 著者 Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. 登録日 2020-09-22 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025 To Be Published
7KC5	X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K 分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION 著者 Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. 登録日 2020-10-05 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
7JZ8	Dihydrodipicolinate synthase mutant S48F with lysine in the allosteric site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-01 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Mapping the unchartered waters of dihydrodipicolinate synthase: a novel mechanism of allosteric inhibition. To Be Published
7JMU	Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 分子名称: Lysozyme C, NITRATE ION 著者 Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. 登録日 2020-08-02 公開日 2020-11-11 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study. J Colloid Interface Sci, 585, 2021
7JNR	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide 分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.443 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JNW	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide 分子名称: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.292 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7K4W	Crystal structure of Kemp Eliminase HG3.17 in the inactive state 分子名称: CALCIUM ION, Endo-1,4-beta-xylanase 著者 Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. 登録日 2020-09-16 公開日 2020-12-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
7JO2	Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide 分子名称: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, ZINC ION 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.307 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7K6U	Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide 分子名称: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, Singh, S, McKenna, R. 登録日 2020-09-21 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.605 Å) 主引用文献 Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
7K8M	Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C102 Fab Heavy Chain, C102 Fab Light Chain, ... 著者 Jette, C.A, Barnes, C.O, Bjorkman, P.J. 登録日 2020-09-27 公開日 2020-10-21 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
7JNV	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020

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