4YRO
 
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6NWC
 | | PYL10 bound to the ABA pan-agonist 3CB | | 分子名称: | 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10 | | 著者 | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | | 登録日 | 2019-02-06 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Dynamic control of plant water use using designed ABA receptor agonists.
Science, 366, 2019
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4YRL
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4YP0
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4YRJ
 | | Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256) | | 分子名称: | 1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ... | | 著者 | Koh, C.-Y, Hol, W.G.J. | | 登録日 | 2015-03-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4YRE
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7LXS
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6O6O
 | | Structure of the regulator FasR from Mycobacterium tuberculosis | | 分子名称: | MYRISTIC ACID, TetR family transcriptional regulator | | 著者 | Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A. | | 登録日 | 2019-03-07 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
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4QYE
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6OGH
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | 登録日 | 2021-03-17 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | 登録日 | 2021-03-17 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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5V3Q
 | | Human GSTO1-1 complexed with ML175 | | 分子名称: | Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION | | 著者 | Oakley, A.J. | | 登録日 | 2017-03-07 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity.
Sci Rep, 7, 2017
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4LHI
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6OG0
 | | Structure of Aedes aegypti OBP22 | | 分子名称: | AAEL005772-PA, CADMIUM ION, CHLORIDE ION | | 著者 | Jones, D.N, Wang, J. | | 登録日 | 2019-04-01 | | 公開日 | 2019-04-17 | | 最終更新日 | 2020-05-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
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4YRC
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4YRM
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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7LBU
 | | Crystal structure of the Propionibacterium acnes surface sialidase | | 分子名称: | ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION | | 著者 | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | 登録日 | 2021-01-08 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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7LBV
 | | Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Exo-alpha-sialidase, PHOSPHATE ION | | 著者 | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | 登録日 | 2021-01-09 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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4RV2
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis | | 分子名称: | MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302 | | 著者 | Biswas, R, Hazra, D, Dutta, D, Das, A.K. | | 登録日 | 2014-11-24 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway.
Biochem.Biophys.Res.Commun., 458, 2015
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4RVK
 | | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | | 分子名称: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | | 著者 | Wiesmann, C, Wu, P. | | 登録日 | 2014-11-26 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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5VOF
 | | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | | 分子名称: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Krishnaswamy, S, Kumar, S. | | 登録日 | 2017-05-02 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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1CN4
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4RL4
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