5F1M
 
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | 著者 | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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6AHS
 | | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | | 分子名称: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Sugawara, H. | | 登録日 | 2018-08-20 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
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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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4WM8
 | | Crystal Structure of Human Enterovirus D68 | | 分子名称: | DECANOIC ACID, VP1, VP2, ... | | 著者 | Liu, Y, Sheng, J, Fokine, A, Meng, G, Long, F, Kuhn, R.J, Rossmann, M.G. | | 登録日 | 2014-10-08 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Virus structure. Structure and inhibition of EV-D68, a virus that causes respiratory illness in children.
Science, 347, 2015
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4WNX
 | | Netrin 4 lacking the C-terminal Domain | | 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, CALCIUM ION, ... | | 著者 | McDougall, M, Patel, T, Reuten, R, Meier, M, Koch, M, Stetefeld, J. | | 登録日 | 2014-10-14 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.723 Å) | | 主引用文献 | Structural decoding of netrin-4 reveals a regulatory function towards mature basement membranes.
Nat Commun, 7, 2016
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4X25
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4X2Y
 | | Crystal structure of a chimeric Murine Norovirus NS6 protease (inactive C139A mutant) in which the P4-P4 prime residues of the cleavage junction in the extended C-terminus have been replaced by the corresponding residues from the NS2-3 junction. | | 分子名称: | NS6 Protease,NS6 Protease | | 著者 | Leen, E.N, Pfeil, M.-P, Fernandes, H, Curry, S. | | 登録日 | 2014-11-27 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.417 Å) | | 主引用文献 | Structure determination of Murine Norovirus NS6 proteases with C-terminal extensions designed to probe protease-substrate interactions.
Peerj, 3, 2015
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5EVO
 | | Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site | | 分子名称: | ACETATE ION, Dehydroascorbate reductase, GLYCEROL | | 著者 | Kumar, A.O, Das, B.K, Arockiasamy, A. | | 登録日 | 2015-11-20 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
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6ATP
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6APX
 | | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | | 分子名称: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | | 著者 | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | | 登録日 | 2017-08-18 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | | 主引用文献 | Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
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6AU5
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6AVC
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4WVO
 | | An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1 | | 分子名称: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ... | | 著者 | Peterson, F.C, Volkman, B.F, Cutler, S.R. | | 登録日 | 2014-11-06 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
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6ATQ
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6ANE
 | | Crystal Structure of Ideonella sakaiensis PET Hydrolase | | 分子名称: | MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase | | 著者 | Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A. | | 登録日 | 2017-08-12 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.
Biophys. J., 114, 2018
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4X1L
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6AOX
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2FW2
 | | Catalytic domain of CDY | | 分子名称: | Testis-specific chromodomain protein Y 2 | | 著者 | Min, J.R, Antoshenko, T, Wu, H, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2006-01-31 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Crystal Structure of catalytic domain of Human Testis-specific chromodomain protein Y.
To be Published
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5F46
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form | | 分子名称: | CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020 | | 著者 | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-12-03 | | 公開日 | 2015-12-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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5B74
 | | Crystal structure of conjoined Pyrococcus furiosus L-asparaginase with peptide | | 分子名称: | CHLORIDE ION, CITRATE ANION, L-asparaginase, ... | | 著者 | Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F. | | 登録日 | 2016-06-05 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | | 主引用文献 | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
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5BX0
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4X1M
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6AQ5
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7AYF
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 | | 分子名称: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, CALCIUM ION, ... | | 著者 | Wolter, M, Dijck, L.v, Ottmann, C. | | 登録日 | 2020-11-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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