2YM7
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | 登録日 | 2011-06-06 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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2YDJ
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | 分子名称: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2011-03-22 | | 公開日 | 2012-01-25 | | 最終更新日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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6SY2
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2W5P
 | | DraE Adhesin in complex with Chloramphenicol Succinate (monoclinic form) | | 分子名称: | CHLORAMPHENICOL SUCCINATE, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | | 著者 | Pettigrew, D.M, Roversi, P, Davies, S.G, Russell, A.J, Lea, S.M. | | 登録日 | 2008-12-11 | | 公開日 | 2009-06-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol
Acta Crystallogr.,Sect.D, 65, 2009
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6ZS2
 | | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | | 分子名称: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | | 著者 | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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2JKJ
 | | DraE Adhesin in complex with Chloramphenicol Succinate | | 分子名称: | CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION, ... | | 著者 | Pettigrew, D.M, Roversi, P, Davies, S.G, Russell, A.J, Lea, S.M. | | 登録日 | 2008-08-28 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol
Acta Crystallogr.,Sect.D, 65, 2009
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2JKL
 | | DraE Adhesin in complex with Bromamphenicol | | 分子名称: | 1,2-ETHANEDIOL, BROMAMPHENICOL, CHLORAMPHENICOL, ... | | 著者 | Pettigrew, D.M, Roversi, P, Davies, S.G, Russell, A.J, Lea, S.M. | | 登録日 | 2008-08-28 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol
Acta Crystallogr.,Sect.D, 65, 2009
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2JKN
 | | DraE Adhesin in complex with Chloramphenicol Succinate (trigonal form) | | 分子名称: | 1,2-ETHANEDIOL, CHLORAMPHENICOL SUCCINATE, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | | 著者 | Pettigrew, D.M, Roversi, P, Davies, S.G, Russell, A.J, Lea, S.M. | | 登録日 | 2008-08-28 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A structural study of the interaction between the Dr haemagglutinin DraE and derivatives of chloramphenicol.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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7S4E
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6LTJ
 | | Structure of nucleosome-bound human BAF complex | | 分子名称: | AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ... | | 著者 | He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y. | | 登録日 | 2020-01-22 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
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6LTH
 | | Structure of human BAF Base module | | 分子名称: | AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ... | | 著者 | He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y. | | 登録日 | 2020-01-22 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
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4QY4
 | | Crystal structure of the bromodomain of human SMARCA2 | | 分子名称: | SMARCA2 protein, ZINC ION | | 著者 | Tallant, C, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-07-23 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of the bromodomain of human SMARCA2
To be Published
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7Z6L
 | | Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | | 登録日 | 2022-03-12 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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7Z77
 | | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-03-15 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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7Z76
 | | Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-03-15 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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7Z78
 | | Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-03-15 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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5GJK
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6V45
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5IFZ
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8CU5
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1UV5
 | | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | | 分子名称: | 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ... | | 著者 | Dajani, R, Pearl, L.H, Roe, S.M. | | 登録日 | 2004-01-14 | | 公開日 | 2004-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
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5TS3
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3VAB
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4EM6
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4F4F
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