5J27
| HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide | 分子名称: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha | 著者 | Amaral, M, Matias, P. | 登録日 | 2016-03-29 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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6UNZ
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1CSV
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1CSX
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6BMS
| Palmitoyltransferase structure | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, DODECYL-BETA-D-MALTOSIDE, PALMITIC ACID, ... | 著者 | Kumar, P, Rajashankar, K. | 登録日 | 2017-11-15 | 公開日 | 2018-01-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.441 Å) | 主引用文献 | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase. Science, 359, 2018
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1CSU
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4CR0
| Crystal Structure of H5 (VN1194) Asn186Lys/Gly143Arg Mutant Haemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | 著者 | Collins, P.J, Vachieri, S.G, Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | 登録日 | 2014-02-21 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Enhanced Human Receptor Binding by H5 Haemagglutinins. Virology, 456, 2014
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1CSW
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5C14
| Crystal structure of PECAM-1 D1D2 domain | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | 著者 | Zhou, D, Paddock, C, Newman, P, Zhu, J. | 登録日 | 2015-06-12 | 公開日 | 2016-01-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for PECAM-1 homophilic binding. Blood, 127, 2016
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6UIE
| Structure of the cytoplasmic domain of the T3SS sorting platform protein PscK from P. aeruginosa | 分子名称: | CHLORIDE ION, Type III export protein PscK | 著者 | Muthuramalingam, M, Lovell, S, Battaile, K.P, Picking, W.D. | 登録日 | 2019-09-30 | 公開日 | 2020-10-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The Structures of SctK and SctD from Pseudomonas aeruginosa Reveal the Interface of the Type III Secretion System Basal Body and Sorting Platform. J.Mol.Biol., 432, 2020
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7KH7
| Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565 | 分子名称: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | 著者 | Kurz, J.L, Patel, K.P, Guddat, L.W. | 登録日 | 2020-10-20 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase. Chemistry, 27, 2021
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6UE8
| Structure of tetrameric sIgA complex (Class 1) | 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, Immunoglobulin J chain, ... | 著者 | Kumar, N, Arthur, C.P, Ciferri, C, Matsumoto, M.L. | 登録日 | 2019-09-20 | 公開日 | 2020-02-19 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structure of the secretory immunoglobulin A core. Science, 367, 2020
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5J3Z
| Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | 著者 | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | 登録日 | 2016-03-31 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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6FLS
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5FBS
| Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase | 著者 | Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2015-12-14 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Rifampin phosphotransferase is an unusual antibiotic resistance kinase. Nat Commun, 7, 2016
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5FO2
| Structure of human transthyretin mutant A108I | 分子名称: | TRANSTHYRETIN | 著者 | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | 登録日 | 2015-11-17 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | 主引用文献 | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep, 7, 2017
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8A0T
| MTH1 in complex with TH012532 | 分子名称: | 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | 著者 | Scaletti, E, Stenmark, P. | 登録日 | 2022-05-30 | 公開日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | MTH1 in complex with TH012532 To Be Published
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5MOG
| Oryza sativa phytoene desaturase inhibited by norflurazon | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Brausemann, A, Gemmecker, S, Koschmieder, J, Beyer, P, Einsle, O. | 登録日 | 2016-12-14 | 公開日 | 2017-07-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structure of Phytoene Desaturase Provides Insights into Herbicide Binding and Reaction Mechanisms Involved in Carotene Desaturation. Structure, 25, 2017
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7QO9
| SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local) | 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, Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529, ... | 著者 | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | 登録日 | 2021-12-23 | 公開日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (3.88 Å) | 主引用文献 | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
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5J9X
| HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide | 分子名称: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | 著者 | Amaral, M, Matias, P. | 登録日 | 2016-04-11 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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5MUT
| Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | 分子名称: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | 登録日 | 2017-01-14 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem, 129, 2017
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8A0Y
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1PL7
| Human Sorbitol Dehydrogenase (apo) | 分子名称: | Sorbitol dehydrogenase, ZINC ION | 著者 | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | 登録日 | 2003-06-07 | 公開日 | 2004-02-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
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3KFO
| Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae | 分子名称: | GLYCEROL, Nucleoporin NUP133 | 著者 | Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-10-27 | 公開日 | 2010-01-26 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex. Proteins, 79, 2011
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6FR3
| 003 TCR Study of CDR Loop Flexibility | 分子名称: | 003 TCR Alpha Chain, 003 TCR Beta Chain, 1,2-ETHANEDIOL, ... | 著者 | Rizkallah, P.J, Cole, D.K. | 登録日 | 2018-02-15 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
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