8Q74
 
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1EOT
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8QQI
 | | E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800 | | 分子名称: | DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ... | | 著者 | Ghilarov, D, Martin, N.I, van der Stelt, M. | | 登録日 | 2023-10-04 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
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8Q75
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5TX6
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8Q76
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6CY4
 | | RNA octamer containing 2'-OMe, 4'- Cbeta-OMe U. | | 分子名称: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3') | | 著者 | Harp, J.M, Egli, M. | | 登録日 | 2018-04-04 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
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8Q73
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1EG1
 | | ENDOGLUCANASE I FROM TRICHODERMA REESEI | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | | 著者 | Kleywegt, G.J, Zou, J.-Y, Jones, T.A. | | 登録日 | 1996-11-26 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | The crystal structure of the catalytic core domain of endoglucanase I from Trichoderma reesei at 3.6 A resolution, and a comparison with related enzymes.
J.Mol.Biol., 272, 1997
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5TR4
 | | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | | 分子名称: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | | 著者 | Sintchak, M.D. | | 登録日 | 2016-10-25 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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6I5L
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | | 分子名称: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-13 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6I56
 | | Crystal structure of PBSX exported protein XepA | | 分子名称: | GLYCEROL, Phage-like element PBSX protein XepA | | 著者 | Hakansson, M, Svensson, L.A, Welin, M, Al-Karadaghi, S. | | 登録日 | 2018-11-13 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS.
Acta Crystallogr D Struct Biol, 75, 2019
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5W6X
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5VQA
 | | Structure of human TRIP13, ATP-bound form | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Pachytene checkpoint protein 2 homolog | | 著者 | Ye, Q, Corbett, K.D. | | 登録日 | 2017-05-08 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding.
EMBO J., 36, 2017
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6I6P
 | | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3 | | 分子名称: | 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | | 登録日 | 2018-11-15 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
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5VSB
 | | Structure of DUB complex | | 分子名称: | 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2017-05-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
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6IA5
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6IBM
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Rowland, R.J, Wu, L, Davies, G.J. | | 登録日 | 2018-11-30 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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5VOL
 | | Bacint_04212 ferulic acid esterase | | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, Putative esterase | | 著者 | Koropatkin, N.M, Cann, I, Mackie, R.I. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases.
J. Mol. Biol., 429, 2017
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8S4H
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6BQB
 | | MGG4 Fab in complex with peptide | | 分子名称: | GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ... | | 著者 | Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A. | | 登録日 | 2017-11-27 | | 公開日 | 2018-03-07 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | | 主引用文献 | A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein.
Nat. Med., 24, 2018
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8R32
 | | Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 A resolution | | 分子名称: | 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, GLUTAMIC ACID, ... | | 著者 | Bay, Y, Jeppesen, M.E, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2023-11-08 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2.
Febs Lett., 598, 2024
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5VS6
 | | Structure of DUB complex | | 分子名称: | ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ... | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2017-05-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
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8S4K
 | | Crystal structure of Fab-2B1 in complex with rocuronium | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab-2B1 VH, Fab-2B1 VL, ... | | 著者 | Saul, F.A, Haouz, A, Bruhns, P. | | 登録日 | 2024-02-21 | | 公開日 | 2024-09-18 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Rocuronium-specific antibodies drive perioperative anaphylaxis but can also function as reversal agents in preclinical models.
Sci Transl Med, 16, 2024
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6DAH
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