5QOI
 
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000213a | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP9
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z100435060 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5UDG
 | | Mutant E97Q crystal structure of Bacillus subtilis QueF with a disulfide Cys 55-99 | | 分子名称: | MAGNESIUM ION, NADPH-dependent 7-cyano-7-deazaguanine reductase, TRIETHYLENE GLYCOL | | 著者 | Mohammad, A, Kiani, M.K, Iwata-Reuyl, D, Stec, B, Swairjo, M. | | 登録日 | 2016-12-27 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Protection of the Queuosine Biosynthesis Enzyme QueF from Irreversible Oxidation by a Conserved Intramolecular Disulfide.
Biomolecules, 7, 2017
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5QP1
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1190363272 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QOJ
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOCR000171b | | 分子名称: | 1,2-ETHANEDIOL, 2-(thiophen-2-yl)-1H-imidazole, ACETATE ION, ... | | 著者 | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP3
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1494850193 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5TIC
 | | X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5 | | 分子名称: | Acyl-CoA thioesterase I, CHLORIDE ION | | 著者 | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | 登録日 | 2016-10-02 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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5TJ3
 | | Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution | | 分子名称: | Alkaline phosphatase PafA, ZINC ION | | 著者 | Lyubimov, A.Y, Sunden, F, Ressl, S, Herschlag, D. | | 登録日 | 2016-10-03 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mechanistic and Evolutionary Insights from Comparative Enzymology of Phosphomonoesterases and Phosphodiesterases across the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 138, 2016
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5NBY
 | | Structure of a bacterial light-regulated adenylyl cylcase | | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | 登録日 | 2017-03-02 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
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5N5S
 | | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ | | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. | | 登録日 | 2017-02-14 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
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5N6Q
 | | Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid | | 分子名称: | 2-Phenylacrylic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | 登録日 | 2017-02-15 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into the ene-reductase synthesis of profens.
Org. Biomol. Chem., 15, 2017
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5NAP
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | | 分子名称: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Caliandro, R, Pesaresi, A, Lamba, D. | | 登録日 | 2017-02-28 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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5NG1
 | | TUBULIN-MTC-zampanolide complex | | 分子名称: | (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F. | | 登録日 | 2017-03-16 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
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5T8C
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5NK7
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2017-03-31 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NKF
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3b | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide | | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2017-03-31 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.099 Å) | | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NK3
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2017-03-31 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.586 Å) | | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NKC
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | | 分子名称: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2017-03-31 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.448 Å) | | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NP1
 | | Open protomer of human ATM (Ataxia telangiectasia mutated) | | 分子名称: | Serine-protein kinase ATM | | 著者 | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | | 登録日 | 2017-04-13 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
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5NQK
 | | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | 登録日 | 2017-04-20 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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5NR5
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5T1A
 | | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | | 著者 | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | | 登録日 | 2016-08-18 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | | 主引用文献 | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
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5SY7
 | | Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA | | 分子名称: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ... | | 著者 | Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F. | | 登録日 | 2016-08-10 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
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5NRE
 | | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - a3GalT in complex with lactose - a3GalT-LAT | | 分子名称: | N-acetyllactosaminide alpha-1,3-galactosyltransferase, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | | 登録日 | 2017-04-22 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5UTL
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