7DK7
 
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7DCX
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7DK6
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7DCC
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7DD8
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7DK5
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6IDE
 | | Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | | 分子名称: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | | 著者 | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | | 登録日 | 2018-09-09 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
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8RKI
 | | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment | | 分子名称: | Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ... | | 著者 | Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L. | | 登録日 | 2023-12-25 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8DS8
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8ETM
 | | Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor | | 分子名称: | Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid | | 著者 | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | | 登録日 | 2022-10-17 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
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8ESM
 | | Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor | | 分子名称: | Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid | | 著者 | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | | 登録日 | 2022-10-14 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
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3IV2
 | | Crystal structure of mature apo-Cathepsin L C25A mutant | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ... | | 著者 | Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J. | | 登録日 | 2009-08-31 | | 公開日 | 2010-03-23 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
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3K24
 | | Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-6)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, ... | | 著者 | Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-29 | | 公開日 | 2010-03-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
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7RIT
 | | Drug-free A. baumannii MsbA | | 分子名称: | ATP-dependent lipid A-core flippase | | 著者 | Thelot, F, Liao, M. | | 登録日 | 2021-07-20 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (5.2 Å) | | 主引用文献 | Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
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6C1U
 | | MBD2 in complex with a deoxy-oligonucleotide | | 分子名称: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-01-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C1T
 | | MBD2 in complex with a partially methylated DNA | | 分子名称: | 12-mer DNA, GLYCEROL, Methyl-CpG-binding domain protein 2, ... | | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-01-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C1V
 | | MBD2 in complex with double-stranded DNA | | 分子名称: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-01-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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2YB4
 | | Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound SO4, no metal | | 分子名称: | AMIDOHYDROLASE, SULFATE ION | | 著者 | Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C. | | 登録日 | 2011-03-01 | | 公開日 | 2011-03-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
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2YB1
 | | Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate. | | 分子名称: | ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ... | | 著者 | Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C. | | 登録日 | 2011-02-25 | | 公開日 | 2011-03-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
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7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | 分子名称: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | 著者 | Piper, D.E, Hu, E, Fang-Tsao, H. | | 登録日 | 2020-08-10 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
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7JXQ
 | | EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063 | | 分子名称: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | An allosteric inhibitor against the therapy-resistant mutant forms of EGFR in non-small cell lung cancer.
Nat Cancer, 3, 2022
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3BE7
 | | Crystal structure of Zn-dependent arginine carboxypeptidase | | 分子名称: | ARGININE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Freeman, J, Iizuka, M, Bain, K, Rodgers, L, Raushel, F, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2007-11-16 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Functional identification of incorrectly annotated prolidases from the amidohydrolase superfamily of enzymes.
Biochemistry, 48, 2009
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3PMI
 | | PWWP Domain of Human Mutated Melanoma-Associated Antigen 1 | | 分子名称: | DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ... | | 著者 | Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2010-11-17 | | 公開日 | 2010-12-15 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
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5TSL
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5TSK
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