8EB9
 
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8EBB
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6P2J
 | | Dimeric structure of ACAT1 | | 分子名称: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | | 著者 | Yan, N, Qian, H.W. | | 登録日 | 2019-05-21 | | 公開日 | 2020-05-20 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
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6P2P
 | | Tetrameric structure of ACAT1 | | 分子名称: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | | 著者 | Yan, N, Qian, H.W. | | 登録日 | 2019-05-21 | | 公開日 | 2020-05-20 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
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5X83
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4GBY
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to D-xylose | | 分子名称: | D-xylose-proton symporter, beta-D-xylopyranose, nonyl beta-D-glucopyranoside | | 著者 | Sun, L.F, Zeng, X, Yan, C.Y, Yan, N. | | 登録日 | 2012-07-28 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.808 Å) | | 主引用文献 | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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4GBZ
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to D-glucose | | 分子名称: | D-xylose-proton symporter, beta-D-glucopyranose, nonyl beta-D-glucopyranoside | | 著者 | Sun, L.F, Zeng, X, Yan, C.Y, Yan, N. | | 登録日 | 2012-07-28 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | | 主引用文献 | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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4GC0
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to 6-bromo-6-deoxy-D-glucose | | 分子名称: | 6-bromo-6-deoxy-beta-D-glucopyranose, D-xylose-proton symporter, nonyl beta-D-glucopyranoside | | 著者 | Yan, N, Sun, L.F, Zeng, X, Yan, C.Y. | | 登録日 | 2012-07-28 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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7RD0
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7RCW
 | | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-07-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCZ
 | | Crystal structure of C. difficile SpoVD in complex with ampicillin | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-07-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCY
 | | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-07-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCX
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5N0L
 | | The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile | | 分子名称: | GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE | | 著者 | Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L. | | 登録日 | 2017-02-03 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Plos One, 14, 2019
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8CWR
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8CWT
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8CYF
 | | WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | | 分子名称: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ... | | 著者 | Wan, T, Zhang, L.M. | | 登録日 | 2022-05-23 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2023
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5WY2
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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5WYH
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6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | 分子名称: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | 著者 | Hong, W, Chen, H, Wu, Q, Lin, T. | | 登録日 | 2019-09-23 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (4.45 Å) | | 主引用文献 | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5KO1
 | | Pseudokinase Domain of MLKL bound to Compound 4. | | 分子名称: | Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate | | 著者 | Marcotte, D.J. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
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5KNJ
 | | Pseudokinase Domain of MLKL bound to Compound 1. | | 分子名称: | 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein | | 著者 | Marcotte, D.J. | | 登録日 | 2016-06-28 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
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7QL8
 | | SARS-COV2 Main Protease in complex with inhibitor MG78 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7QUW
 | | CVB3-3Cpro in complex with inhibitor MG-78 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | | 著者 | Zhang, L, Hilgenfeld, R. | | 登録日 | 2022-01-19 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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