7LAH
 
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7LAJ
 | | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to Ro3280 | | 分子名称: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2 | | 著者 | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | | 登録日 | 2021-01-06 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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7LAU
 | | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-IN-1 | | 分子名称: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 2 | | 著者 | Karim, M.R, Bikowitz, M, Schonbrunn, E. | | 登録日 | 2021-01-06 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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7LAI
 | | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to 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, Bromodomain-containing protein 2 | | 著者 | Karim, M.R, Bikowitz, M, Schonbrunn, E. | | 登録日 | 2021-01-06 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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2MK0
 | | Structure of the PSCD4-domain of the cell wall protein pleuralin-1 from the diatom Cylindrotheca fusiformis | | 分子名称: | HEP200 protein | | 著者 | De Sanctis, S, Wenzler, M, Kroeger, N, Malloni, W.M, Sumper, M, Deutzmann, R, Zadravec, P, Brunner, E, Kremer, W, Kalbitzer, S.H.R. | | 登録日 | 2014-01-22 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | PSCD Domains of Pleuralin-1 from the Diatom Cylindrotheca fusiformis: NMR Structures and Interactions with Other Biosilica-Associated Proteins.
Structure, 24, 2016
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3CRZ
 | | Ferredoxin-NADP Reductase | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP+ reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Han, H, Schonbrunn, E. | | 登録日 | 2008-04-08 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa
Biochemistry, 47, 2008
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5N0D
 | | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | 分子名称: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2017-02-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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5N0E
 | | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | 分子名称: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2017-02-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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3ZHA
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6MH7
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2018-09-17 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
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6MH1
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2018-09-17 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
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4WW0
 | | Truncated FtsH from A. aeolicus | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, ZINC ION | | 著者 | Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R. | | 登録日 | 2014-11-09 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
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6HWU
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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7BFI
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6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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7ZLO
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 | | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLP
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9 | | 分子名称: | Elongin-B, Elongin-C, PHOSPHATE ION, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLN
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11 | | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLS
 | | co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | | 分子名称: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLR
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLM
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 | | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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4Z1E
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1K
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z0Q
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-26 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1J
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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