6RV4
 
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | | 著者 | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-05-30 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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6HVF
 | | Kinase domain of cSrc in complex with compound 29B | | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | | 著者 | Keul, M, Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-10 | | 公開日 | 2019-10-23 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
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6ZOI
 | | A lid blocking mechanism of a cone snail toxin revealed at the atomic level | | 分子名称: | Conknunitzin-C3 mutante | | 著者 | Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I. | | 登録日 | 2020-07-07 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | A lid blocking mechanism of a cone snail toxin revealed at the atomic level
To Be Published
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8JE0
 | | A novel amidohydrolase | | 分子名称: | 1,2-ETHANEDIOL, Amidase, ZINC ION | | 著者 | Ma, D, Feng, R. | | 登録日 | 2023-05-15 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A novel amidohydrolase catalyze the degradation of PAM by Klebsiella sp. PCX
To Be Published
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5GIV
 | | Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1 | | 分子名称: | ACETATE ION, Carboxypeptidase 1, ZINC ION | | 著者 | Sharma, B, Singh, R, Yadav, P, Ghosh, B, Kumar, A, Jamdar, S.N, Makde, R.D. | | 登録日 | 2016-06-25 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations
Biochim. Biophys. Acta, 1865, 2017
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6ZWK
 | | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | | 分子名称: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | | 著者 | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | | 登録日 | 2020-07-28 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021
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4QSE
 | | Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum c58, target efi-510558, with bound glycerol | | 分子名称: | ABC-TYPE SUGAR TRANSPORTER, GLYCEROL | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, K.L, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-07-03 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Crystal structure of maltoside transporter ATU4361 from
Agrobacterium Fabrum, target EFI-510558
To be Published
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3LDK
 | | Crystal Structure of A. japonicus CB05 | | 分子名称: | Fructosyltransferase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | 著者 | Chuankhayan, P, Chen, C.J, Chaing, C.M, Hsieh, C.Y, Chen, C.D, Hsieh, Y.C. | | 登録日 | 2010-01-13 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of Aspergillus japonicus fructosyltransferase complex with donor/acceptor substrates reveal complete sbusites in the active site for catalysis
To be Published
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | 著者 | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | 登録日 | 2014-08-14 | | 公開日 | 2015-02-25 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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7GQU
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | 著者 | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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5K1C
 | | Crystal structure of the UAF1/WDR20/USP12 complex | | 分子名称: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | | 著者 | Li, H, D'Andrea, A.D, Zheng, N. | | 登録日 | 2016-05-18 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
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7GQT
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | | 著者 | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7RG6
 | | Importin alpha2 in complex with ORF4B Bat coronavirus HKU5 | | 分子名称: | Importin subunit alpha-1, Non-structural protein ORF4b | | 著者 | Foster, J.K, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | 著者 | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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6EIE
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5H0O
 | | Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with manganese ion | | 分子名称: | HNH endonuclease, MANGANESE (II) ION | | 著者 | Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y. | | 登録日 | 2016-10-06 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease.
Sci Rep, 7, 2017
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5CDN
 | | 2.8A structure of etoposide with S.aureus DNA gyrase and DNA | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ... | | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | | 登録日 | 2015-07-04 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | 分子名称: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | 著者 | Argiriadi, M.A, George, D.M. | | 登録日 | 2014-09-09 | | 公開日 | 2014-10-08 | | 最終更新日 | 2015-02-04 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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6S43
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | 登録日 | 2019-06-26 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6HZX
 | | Protein-aromatic foldamer complex crystal structure | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | | 登録日 | 2018-10-24 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
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4RBW
 | | Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | | 分子名称: | CHLORIDE ION, Defensin-5, SULFATE ION | | 著者 | Pazgier, M, Gohain, N, Tolbert, W.D. | | 登録日 | 2014-09-13 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
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5CG0
 | | Crystal structure of Spodoptera frugiperda Beta-glycosidase | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 | Tamaki, F.K, Souza, D.P, Souza, V.P, Farah, S.C, Marana, S.R. | | 登録日 | 2015-07-08 | | 公開日 | 2015-12-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Using the Amino Acid Network to Modulate the Hydrolytic Activity of beta-Glycosidases.
PLoS ONE, 11, 2016
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8ITS
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8E9N
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIY in the ligand-free form at 278 K | | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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6AK9
 | | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Cytosine and Incoming Ca-8oxodGTP | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Chang, Y.K, Wu, W.J, Tsai, M.D. | | 登録日 | 2018-08-30 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
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