7K8D
 
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7K8B
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3BCG
 | | Conformational changes of the AcrR regulator reveal a mechanism of induction | | 分子名称: | HTH-type transcriptional regulator acrR | | 著者 | Gu, R, Li, M, Su, C.C, Long, F, Yang, F, McDermott, G, Yu, E.Y. | | 登録日 | 2007-11-12 | | 公開日 | 2008-02-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Conformational change of the AcrR regulator reveals a possible mechanism of induction.
Acta Crystallogr.,Sect.F, 64, 2008
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5JG0
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5KCV
 | | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | | 分子名称: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | | 著者 | Eathiraj, S. | | 登録日 | 2016-06-07 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
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5KU3
 | | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | | 著者 | Murray, J.M, Huang, W. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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5KJX
 | | Co-crystal Structure of PKA RI alpha CNB-B domain with cAMP | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit | | 著者 | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | | 登録日 | 2016-06-20 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
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5KJY
 | | Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit | | 著者 | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | | 登録日 | 2016-06-20 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
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5KTX
 | | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | | 著者 | Murray, J.M, Noland, C. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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3CQO
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6UEG
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | 分子名称: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6UEE
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6UEC
 | | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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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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3K0I
 | | Crystal structure of Cu(I)CusA | | 分子名称: | COPPER (I) ION, Cation efflux system protein cusA | | 著者 | Su, C.-C. | | 登録日 | 2009-09-24 | | 公開日 | 2010-10-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (4.116 Å) | | 主引用文献 | Crystal structure of CusA
To be Published
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3KSO
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3K07
 | | Crystal structure of CusA | | 分子名称: | Cation efflux system protein cusA | | 著者 | Su, C.-C. | | 登録日 | 2009-09-24 | | 公開日 | 2010-09-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.521 Å) | | 主引用文献 | Crystal structures of the CusA efflux pump suggest methionine-mediated metal transport.
Nature, 467, 2010
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6VQQ
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3KSS
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6UED
 | | Apo Pseudomonas aeruginosa LpxD Structure | | 分子名称: | GLYCEROL, MAGNESIUM ION, UDP-3-O-acylglucosamine N-acyltransferase | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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3L7L
 | | Structure of the Wall Teichoic Acid Polymerase TagF, H444N + CDPG (30 minute soak) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | 著者 | Lovering, A.L, Strynadka, N.C.J. | | 登録日 | 2009-12-28 | | 公開日 | 2010-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure of the bacterial teichoic acid polymerase TagF provides insights into membrane association and catalysis.
Nat.Struct.Mol.Biol., 17, 2010
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6VKS
 | | Cryo-electron microscopy structures of a gonococcal multidrug efflux pump illuminate a mechanism of drug recognition with ampicillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE | | 著者 | Moseng, M.A, Lyu, M. | | 登録日 | 2020-01-22 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Cryo-EM Structures of a Gonococcal Multidrug Efflux Pump Illuminate a Mechanism of Drug Recognition and Resistance.
Mbio, 11, 2020
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3L7J
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6VKT
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2Q15
 | | Structure of BACE complexed to compound 3a | | 分子名称: | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1 | | 著者 | Sharff, A.J. | | 登録日 | 2007-05-23 | | 公開日 | 2007-08-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
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