9G5H
 
 | | p53-Y220C Core Domain Covalently Bound to 2-chloro-5-cyanopyrazine Soaked at 5 mM | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chloranylpyrazine-2-carbonitrile, ... | | 著者 | Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M. | | 登録日 | 2024-07-17 | | 公開日 | 2025-06-11 | | 最終更新日 | 2025-07-16 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | S N Ar Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes.
Drug Des Devel Ther, 19, 2025
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9G6U
 | | p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM | | 分子名称: | 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M. | | 登録日 | 2024-07-19 | | 公開日 | 2025-06-11 | | 最終更新日 | 2025-07-16 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | S N Ar Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes.
Drug Des Devel Ther, 19, 2025
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7MJJ
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | 登録日 | 2021-04-20 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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6BCR
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5WBR
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | 分子名称: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | | 著者 | Pandit, J. | | 登録日 | 2017-06-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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2WAG
 | | The Structure of a family 25 Glycosyl hydrolase from Bacillus anthracis. | | 分子名称: | GLYCEROL, LYSOZYME, PUTATIVE, ... | | 著者 | Martinez-Fleites, C, Korczynska, J.E, Cope, M, Turkenburg, J.P, Taylor, E.J. | | 登録日 | 2009-02-06 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Crystal Structure of a Family Gh25 Lysozyme from Bacillus Anthracis Implies a Neighboring-Group Catalytic Mechanism with Retention of Anomeric Configuration
Carbohydr.Res., 344, 2009
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9MQP
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with SelSA | | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-phenyl-6-selanylhexanamide, ... | | 著者 | Goulart Stollmaier, J, Czarnecki, B.A.R, Christianson, D.W. | | 登録日 | 2025-01-04 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Mechanism-Based Inhibition of Histone Deacetylase 6 by a Selenocyanate Is Subject to Redox Modulation.
J.Am.Chem.Soc., 147, 2025
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3GYK
 | | The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3 | | 分子名称: | 1,2-ETHANEDIOL, 27kDa outer membrane protein, SULFATE ION | | 著者 | Fan, Y, Marshall, N, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2009-04-03 | | 公開日 | 2009-06-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3
To be Published
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8P3C
 | | Full length structure of BpMIP with bound inhibitor NJS227. | | 分子名称: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2023-05-17 | | 公開日 | 2024-06-12 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors.
J.Med.Chem., 68, 2025
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9OB8
 | | Crystal structure of human fatty acid binding protein 4 (FABP4) bound to 8-anilino-1-naphthalenesulfonic acid (ANS) | | 分子名称: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, adipocyte, ... | | 著者 | Birchfield, A.B, Musayev, F.N, Fuglestad, B. | | 登録日 | 2025-04-22 | | 公開日 | 2025-06-11 | | 最終更新日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Broad PFAS Binding with Fatty Acid Binding Protein 4 Is Enabled by Variable Binding Modes.
Jacs Au, 5, 2025
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9FNG
 | | The glycoside hydrolase family 71 (GH71) member AnGH71C from Aspergillus nidulans in complex with glucose. | | 分子名称: | Glycoside hydrolase family 71, alpha-D-glucopyranose, beta-D-glucopyranose | | 著者 | Mazurkewich, S, Widen, T, Branden, G, Larsbrink, J. | | 登録日 | 2024-06-10 | | 公開日 | 2025-06-25 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structural and biochemical basis for activity of Aspergillus nidulans alpha-1,3-glucanases from glycoside hydrolase family 71.
Commun Biol, 8, 2025
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5AHR
 | | Crystal structure of human DNA cross-link repair 1A, crystal form B | | 分子名称: | 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION | | 著者 | Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-02-06 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities.
Nucleic Acids Res., 43, 2015
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5HKZ
 | | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form) | | 分子名称: | E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | 登録日 | 2016-01-14 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
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5UKR
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5V94
 | | Pekin duck egg lysozyme isoform III (DEL-III), cubic form | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | | 著者 | Langley, D.B, Christ, D. | | 登録日 | 2017-03-22 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
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9NGE
 | | The ubiquitin-associated domain of human thirty-eight negative kinase-1 rigidly fused to a double trigger variant of the 1TEL crystallization chaperone | | 分子名称: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, SODIUM ION, ... | | 著者 | Averett, J.C, Bradford, M.J, Averett, B.J, Hansen, D, Doukov, T, Moody, J.D. | | 登録日 | 2025-02-22 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | The ubiquitin-associated domain of human thirty-eight negative kinase-1 rigidly fused to a double trigger variant of the 1TEL crystallization chaperone
To Be Published
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6Q4M
 | | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | 著者 | Gundogdu, M, van Aalten, D.M.F. | | 登録日 | 2018-12-06 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation
To Be Published
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6I5Z
 | | Papaver somniferum O-methyltransferase | | 分子名称: | O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE | | 著者 | Davies, G.J, Cabry, M.P, Offen, W.A. | | 登録日 | 2018-11-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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5HSX
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4D6S
 | | crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound 5,6-Dimethylbenzimidazole | | 分子名称: | 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, DIMETHYL SULFOXIDE, ... | | 著者 | Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2014-11-14 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound 5,6- Dimethylbenzimidazole
To be Published
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4ZXH
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ... | | 著者 | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | 登録日 | 2015-05-20 | | 公開日 | 2015-12-30 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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5O3C
 | | Human Brd2(BD2) mutant in complex with 9-Me | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | 著者 | Runcie, A.C, Chan, K.-H, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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6US3
 | | MTH1 in complex with compound 4 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.47028923 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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5UIX
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5URO
 | | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei | | 分子名称: | 2,2'-oxydi(ethyn-1-ol), Predicted protein | | 著者 | Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B. | | 登録日 | 2017-02-11 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei.
Biochim. Biophys. Acta, 1865, 2017
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