7ZNT
 
 | | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | | 分子名称: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | 著者 | Hughes, S.J, Casement, R, Ciulli, A. | | 登録日 | 2022-04-22 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders.
Nat.Chem.Biol., 19, 2023
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5F19
 | | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | | 登録日 | 2015-11-30 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
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6P24
 | | Escherichia coli tRNA synthetase | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Kahne, D, Baidin, V, Owens, T.W. | | 登録日 | 2019-05-20 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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5TWD
 | | CTX-M-14 P167S apoenzyme | | 分子名称: | Beta-lactamase | | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2016-11-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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5TW4
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6AQQ
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | 分子名称: | (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA | | 著者 | Cini, D.A, Wilce, M.C.J. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
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5F2F
 | | Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | | 分子名称: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH | | 著者 | Kalas, V, Hultgren, S.J. | | 登録日 | 2015-12-01 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | | 主引用文献 | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI.
Chemmedchem, 11, 2016
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6XCD
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6EPK
 | | CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | | 著者 | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | | 登録日 | 2017-10-11 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
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6ELK
 | | C.elegans MnSOD-3 mutant - Q142H | | 分子名称: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Hunter, G.J, Trinh, C.H, Hunter, T. | | 登録日 | 2017-09-29 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.
Chemistry, 24, 2018
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5F35
 | | Structure of quinolinate synthase in complex with citrate | | 分子名称: | CITRATE ANION, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | | 登録日 | 2015-12-02 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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6ARE
 | | Aspergillus fumigatus Cytosolic Thiolase in complex with two tetrahedral reaction intermediates and ammonium ions | | 分子名称: | ACETATE ION, ACETYL COENZYME *A, AMMONIUM ION, ... | | 著者 | Marshall, A.C, Bond, C.S, Bruning, J.B. | | 登録日 | 2017-08-22 | | 公開日 | 2018-05-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
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7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | 分子名称: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | | 著者 | Yin, J, Eigenbrot, C.E, Wang, W. | | 登録日 | 2020-09-06 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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6P3Q
 | | Calpain-5 (CAPN5) Protease Core (PC) | | 分子名称: | Calpain-5 | | 著者 | Velez, G, Sun, Y.J, Khan, S, Yang, J, Koster, H.J, Lokesh, G, Mahajan, V. | | 登録日 | 2019-05-24 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Insights into the Unique Activation Mechanisms of a Non-classical Calpain and Its Disease-Causing Variants.
Cell Rep, 30, 2020
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6XCX
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5F3D
 | | Structure of quinolinate synthase in complex with reaction intermediate W | | 分子名称: | 2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID, IRON/SULFUR CLUSTER, Quinolinate synthase A, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | | 登録日 | 2015-12-02 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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6IO0
 | | Human IDH1 R132C mutant complexed with compound A. | | 分子名称: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | | 著者 | Suzuki, M, Baba, D, Hanzawa, H. | | 登録日 | 2018-10-29 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
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5F33
 | | Structure of quinolinate synthase in complex with phosphoglycolohydroxamate | | 分子名称: | IRON/SULFUR CLUSTER, PHOSPHOGLYCOLOHYDROXAMIC ACID, Quinolinate synthase A, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | | 登録日 | 2015-12-02 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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7ZOF
 | | Streptavidin Iron-Porphyrin | | 分子名称: | (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid, FE (III) ION, IMIDAZOLE, ... | | 著者 | Igareta, N.V, Ward, T.R. | | 登録日 | 2022-04-25 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Streptavidin Iron-Porphyrin
To Be Published
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6IKG
 | | Crystal structure of substrate-bound S9 peptidase (S514A mutant) from Deinococcus radiodurans | | 分子名称: | Acyl-peptide hydrolase, putative, GLYCEROL, ... | | 著者 | Yadav, P, Kumar, A, Goyal, V.D, Makde, R.D. | | 登録日 | 2018-10-16 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
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7ZJT
 | | Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION | | 著者 | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | 登録日 | 2022-04-11 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
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6EN4
 | | SF3b core in complex with a splicing modulator | | 分子名称: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ... | | 著者 | Cretu, C, Pena, V. | | 登録日 | 2017-10-04 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Structural Basis of Splicing Modulation by Antitumor Macrolide Compounds.
Mol. Cell, 70, 2018
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5TZ8
 | | Crystal structure of S. aureus TarS | | 分子名称: | Glycosyl transferase | | 著者 | Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C. | | 登録日 | 2016-11-21 | | 公開日 | 2017-01-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
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7ZS6
 | | Crystal structure of Apis mellifera RidA | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ... | | 著者 | Visentin, C, Rizzi, G, Ricagno, S. | | 登録日 | 2022-05-06 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage.
Biochem.Biophys.Res.Commun., 616, 2022
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5TZQ
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