5U2J
 
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6NCJ
 | | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | | 分子名称: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Nolte, R.T. | | 登録日 | 2018-12-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
J. Med. Chem., 62, 2019
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7KQD
 | | Prefusion RSV F Bound to RV521 | | 分子名称: | 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION | | 著者 | McLellan, J.S. | | 登録日 | 2020-11-14 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.
J.Med.Chem., 64, 2021
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6PGQ
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8FIU
 | | Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold | | 分子名称: | 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | 著者 | Nolte, R.T. | | 登録日 | 2022-12-16 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
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6PFO
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3ZQD
 | | B. subtilis L,D-transpeptidase | | 分子名称: | L, D-TRANSPEPTIDASE YKUD | | 著者 | Lecoq, L, Simorre, J.-P, Bougault, C, Arthur, M, Hugonnet, J.-E, Veckerle, C, Pessey, O. | | 登録日 | 2011-06-09 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase.
Structure, 20, 2012
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4A52
 | | NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis | | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PUTATIVE L, D-TRANSPEPTIDASE YKUD | | 著者 | Lecoq, L, Simorre, J, Bougault, C, Arthur, M, Hugonnet, J, Veckerle, C, Pessey, O. | | 登録日 | 2011-10-24 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase.
Structure, 20, 2012
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2BS4
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2BS3
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7T9H
 | | HIV Integrase in complex with Compound-15 | | 分子名称: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION | | 著者 | Khan, J.A, Lewis, H, Kish, K. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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7T9O
 | | HIV Integrase in complex with Compound-25 | | 分子名称: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ... | | 著者 | Khan, J.A, Lewis, H, Kish, K. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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7U2U
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | | 分子名称: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Khan, J.A, lewis, H, Kish, K. | | 登録日 | 2022-02-24 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | | 主引用文献 | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
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7UOQ
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | | 分子名称: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Lewis, H.A, Muckelbauer, J.K. | | 登録日 | 2022-04-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8867 Å) | | 主引用文献 | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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5FCM
 | | CrBld10-N 1-70 | | 分子名称: | Basal body protein, ISOPROPYL ALCOHOL, SULFATE ION | | 著者 | Kraatz, S.H.W, Steinmetz, M.O. | | 登録日 | 2015-12-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.229 Å) | | 主引用文献 | The Human Centriolar Protein CEP135 Contains a Two-Stranded Coiled-Coil Domain Critical for Microtubule Binding.
Structure, 24, 2016
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5FCN
 | | microtubule binding domain of human CEP135 | | 分子名称: | Centrosomal protein of 135 kDa | | 著者 | Kraatz, S.H.W. | | 登録日 | 2015-12-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Human Centriolar Protein CEP135 Contains a Two-Stranded Coiled-Coil Domain Critical for Microtubule Binding.
Structure, 24, 2016
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5VAR
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2BS2
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1E7P
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3RAE
 | | Quinolone(Levofloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | | 分子名称: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ... | | 著者 | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2011-03-28 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr.,Sect.D, 72, 2016
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3BNG
 | | W. succinogenes NrfA Y218F | | 分子名称: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | | 著者 | Lukat, P, Einsle, O. | | 登録日 | 2007-12-14 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
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3BNH
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3BNJ
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3BNF
 | | W. succinogenes NrfA Sulfite Complex | | 分子名称: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | | 著者 | Lukat, P, Einsle, O. | | 登録日 | 2007-12-14 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
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2M32
 | | Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide | | 分子名称: | GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION | | 著者 | Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M. | | 登録日 | 2013-01-07 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-02-12 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
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