5ENJ
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | 分子名称: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENC
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENB
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENI
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | 分子名称: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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6HJK
| Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 | 分子名称: | (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ... | 著者 | Bayliss, R, McIntyre, P.J. | 登録日 | 2018-09-04 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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5T66
| Crystal Structure of CTX-M-15 with 1C | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-09-01 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | 主引用文献 | Cyclic Boronates Inhibit All Classes of beta-Lactamases. Antimicrob. Agents Chemother., 61, 2017
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6HJJ
| Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | 分子名称: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | 著者 | Bayliss, R, McIntyre, P.J. | 登録日 | 2018-09-04 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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5ENH
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | 分子名称: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | 著者 | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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4NQ6
| Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 | 分子名称: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | 著者 | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | 登録日 | 2013-11-23 | 公開日 | 2014-11-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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2FX4
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5ABA
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8AXP
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5AOJ
| Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid | 分子名称: | 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... | 著者 | Joerger, A.C, Baud, M.G, Bauer, M.R, Fersht, A.R. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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5AOI
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5AOL
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5AOK
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099 | 分子名称: | 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... | 著者 | Joerger, A.C. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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5AOM
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ... | 著者 | Joerger, A.C, Boeckler, F.M, Wilcken, R. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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5AB9
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2IXA
| A-zyme, N-acetylgalactosaminidase | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | 著者 | Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H. | 登録日 | 2006-07-07 | 公開日 | 2007-04-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Bacterial Glycosidases for the Production of Universal Red Blood Cells. Nat.Biotechnol., 25, 2007
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6SI2
| p53 cancer mutant Y220S | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-08 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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2IXB
| Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | 著者 | Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H. | 登録日 | 2006-07-07 | 公開日 | 2007-04-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bacterial Glycosidases for the Production of Universal Red Blood Cells. Nat.Biotechnol., 25, 2007
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6SHZ
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6SI4
| p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323 | 分子名称: | 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-08 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6SI0
| p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 | 分子名称: | 1,2-ETHANEDIOL, 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-08 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6SI3
| p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301 | 分子名称: | 1,2-ETHANEDIOL, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, ... | 著者 | Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-08 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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