3CYS
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![BU of 3cys by Molmil](/molmil-images/mine/3cys) | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX | 分子名称: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Spitzfaden, C, Braun, W, Wider, G, Widmer, H, Wuthrich, K. | 登録日 | 1994-02-28 | 公開日 | 1994-08-31 | 最終更新日 | 2017-11-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Determination of the NMR Solution Structure of the Cyclophilin A-Cyclosporin a Complex. J.Biomol.NMR, 4, 1994
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1D6T
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![BU of 1d6t by Molmil](/molmil-images/mine/1d6t) | RNASE P PROTEIN FROM STAPHYLOCOCCUS AUREUS | 分子名称: | RIBONUCLEASE P | 著者 | Spitzfaden, C. | 登録日 | 1999-10-15 | 公開日 | 2000-10-18 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of ribonuclease P protein from Staphylococcus aureus reveals a unique binding site for single-stranded RNA. J.Mol.Biol., 295, 2000
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4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/4bul) | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | 分子名称: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | 著者 | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | 登録日 | 2013-06-20 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases. Bioorg.Med.Chem.Lett., 23, 2013
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2XCQ
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![BU of 2xcq by Molmil](/molmil-images/mine/2xcq) | The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | 分子名称: | DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-24 | 公開日 | 2010-08-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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2XCO
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![BU of 2xco by Molmil](/molmil-images/mine/2xco) | The 3.1A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | 分子名称: | CALCIUM ION, DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-24 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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3ZM7
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![BU of 3zm7 by Molmil](/molmil-images/mine/3zm7) | CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPCP | 分子名称: | DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C. | 登録日 | 2013-02-05 | 公開日 | 2013-09-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion. Biochem.J., 456, 2013
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3ZKD
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![BU of 3zkd by Molmil](/molmil-images/mine/3zkd) | CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP | 分子名称: | DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C. | 登録日 | 2013-01-22 | 公開日 | 2013-09-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion. Biochem.J., 456, 2013
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3ZKB
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![BU of 3zkb by Molmil](/molmil-images/mine/3zkb) | CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP | 分子名称: | DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C. | 登録日 | 2013-01-22 | 公開日 | 2013-09-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion. Biochem.J., 456, 2013
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2XCS
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![BU of 2xcs by Molmil](/molmil-images/mine/2xcs) | The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA | 分子名称: | 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ... | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-25 | 公開日 | 2010-08-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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2XCT
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![BU of 2xct by Molmil](/molmil-images/mine/2xct) | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | 著者 | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-25 | 公開日 | 2010-08-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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2XCR
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![BU of 2xcr by Molmil](/molmil-images/mine/2xcr) | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | 分子名称: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-25 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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5CDN
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![BU of 5cdn by Molmil](/molmil-images/mine/5cdn) | 2.8A structure of etoposide with S.aureus DNA gyrase and DNA | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDQ
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![BU of 5cdq by Molmil](/molmil-images/mine/5cdq) | 2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA | 分子名称: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDP
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![BU of 5cdp by Molmil](/molmil-images/mine/5cdp) | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDO
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![BU of 5cdo by Molmil](/molmil-images/mine/5cdo) | 3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA | 分子名称: | (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one, (2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, (2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDR
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![BU of 5cdr by Molmil](/molmil-images/mine/5cdr) | 2.65 structure of S.aureus DNA gyrase and artificially nicked DNA | 分子名称: | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*)-3'), DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDM
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![BU of 5cdm by Molmil](/molmil-images/mine/5cdm) | 2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA | 分子名称: | (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | 登録日 | 2015-07-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5I5S
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![BU of 5i5s by Molmil](/molmil-images/mine/5i5s) | |
5I5V
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![BU of 5i5v by Molmil](/molmil-images/mine/5i5v) | X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5T
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![BU of 5i5t by Molmil](/molmil-images/mine/5i5t) | X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5Y
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![BU of 5i5y by Molmil](/molmil-images/mine/5i5y) | |
5I5U
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![BU of 5i5u by Molmil](/molmil-images/mine/5i5u) | X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5W
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5I60
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![BU of 5i60 by Molmil](/molmil-images/mine/5i60) | |
5I5X
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![BU of 5i5x by Molmil](/molmil-images/mine/5i5x) | X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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