7DQH
| |
7DQI
| E. coli GyrB ATPase domain in complex with Esculetin | 分子名称: | 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... | 著者 | Yu, Y, Zhou, H. | 登録日 | 2020-12-23 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
|
|
7DQJ
| E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone | 分子名称: | 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | 著者 | Yu, Y, Zhou, H. | 登録日 | 2020-12-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
|
|
7DQF
| |
7DQU
| |
7DQL
| E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol | 分子名称: | 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... | 著者 | Yu, Y, Zhou, H. | 登録日 | 2020-12-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
|
|
7DQM
| E. coli GyrB ATPase domain in complex with Naringenin | 分子名称: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | 著者 | Yu, Y, Zhou, H. | 登録日 | 2020-12-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
|
|
7DQS
| |
7DQW
| |
7C7N
| |
4ASB
| The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | 分子名称: | (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Prodromou, C. | 登録日 | 2012-04-30 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90. Nat Chem, 5, 2013
|
|
4ASF
| The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | 分子名称: | (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION | 著者 | Roe, S.M, Prodromou, C. | 登録日 | 2012-05-01 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90. Nat Chem, 5, 2013
|
|
4ASA
| The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | 分子名称: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CHLORIDE ION, [(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | 著者 | Roe, S.M, Prodromou, C. | 登録日 | 2012-04-30 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90. Nat.Chem., 5, 2013
|
|
4CE2
| Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90. Org. Biomol. Chem., 12, 2014
|
|
4CE1
| Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
|
|
4ASG
| The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | 分子名称: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | 著者 | Roe, S.M, Prodromou, C. | 登録日 | 2012-05-01 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90. Nat.Chem., 5, 2013
|
|
4AS9
| The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | 分子名称: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | 著者 | Roe, S.M, Prodromou, C. | 登録日 | 2012-04-30 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90. Nat Chem, 5, 2013
|
|
4B6C
| Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | 分子名称: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | 著者 | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | 登録日 | 2012-08-09 | 公開日 | 2013-01-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis. ACS Chem. Biol., 8, 2013
|
|
4BAE
| Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | 分子名称: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | 著者 | Read, J.A, Gingell, H.G, Madhavapeddi, P. | 登録日 | 2012-09-13 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
|
|
3ZXQ
| |
4CE3
| Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
|
|
4DUH
| Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor | 分子名称: | 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B | 著者 | Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. | 登録日 | 2012-02-22 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
|
|
4V26
| VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | 著者 | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | 登録日 | 2014-10-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
|
|
4E02
| Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | 分子名称: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-03-02 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1547 Å) | 主引用文献 | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
|
|
4V25
| VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | 著者 | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | 登録日 | 2014-10-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
|
|