7TOG
 
 | | Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme | | 分子名称: | SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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8R6W
 | | Structure of the SFTSV L protein in a transcription-priming state with bound capped RNA [TRANSCRIPTION-PRIMING] | | 分子名称: | RNA (5'-R(*(M7G)*AP*AP*A)-3'), RNA (5'-R(*AP*CP*AP*C)-3'), RNA (5'-R(*AP*CP*AP*CP*AP*GP*AP*GP*AP*CP*GP*CP*CP*CP*AP*G)-3'), ... | | 著者 | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | | 登録日 | 2023-11-23 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
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3KGF
 | | The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan | | 分子名称: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Parker, E.J, Jameson, G.B, Jiao, W, Webby, C.J, Baker, E.N, Baker, H.M, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | 登録日 | 2009-10-29 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
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4MX9
 | | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | | 著者 | Merritt, E.A. | | 登録日 | 2013-09-26 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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5IRX
 | | Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc | | 分子名称: | (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | | 著者 | Gao, Y, Cao, E, Julius, D, Cheng, Y. | | 登録日 | 2016-03-14 | | 公開日 | 2016-05-25 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
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6V66
 | | EGFR(T790M/V948R) in complex with LN2899 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2019-12-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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7TOI
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate | | 分子名称: | ACETATE ION, SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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7TOH
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | | 分子名称: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-11-02 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
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2J2F
 | | The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) | | 分子名称: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, FE (III) ION | | 著者 | Guy, J.E, Abreu, I.A, Moche, M, Lindqvist, Y, Whittle, E, Shanklin, J. | | 登録日 | 2006-08-16 | | 公開日 | 2006-10-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning from Desaturation to Oxidase Chemistry.
Proc.Natl.Acad.Sci.USA, 103, 2006
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7QPL
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6Z05
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1S36
 | | Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence | | 分子名称: | CHLORIDE ION, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, ... | | 著者 | Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-01-12 | | 公開日 | 2004-10-05 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal structure of a Ca2+-discharged photoprotein: implications for mechanisms of the calcium trigger and bioluminescence
J.Biol.Chem., 279, 2004
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5AEC
 | | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | | 分子名称: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | | 登録日 | 2015-08-28 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Acta Crystallogr.,Sect.D, 71, 2015
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1GJD
 | | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | | 分子名称: | CITRIC ACID, N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | 登録日 | 2001-05-03 | | 公開日 | 2002-05-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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6YUW
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 | | 分子名称: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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6YV2
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 | | 分子名称: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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5KDH
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR | | 分子名称: | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2016-06-08 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.
J. Med. Chem., 60, 2017
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5KDU
 | | ZmpB metallopeptidase in complex with a2,6-Sialyl T-antigen | | 分子名称: | 1,2-ETHANEDIOL, F5/8 type C domain protein, SERINE, ... | | 著者 | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | | 登録日 | 2016-06-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BWD
 | | 3.7 angstrom cryoEM structure of truncated mouse TRPM7 | | 分子名称: | CHOLESTEROL HEMISUCCINATE, MAGNESIUM ION, Transient receptor potential cation channel subfamily M member 7 | | 著者 | Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E. | | 登録日 | 2017-12-14 | | 公開日 | 2018-08-15 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FJF
 | | Tubulin-FcMaytansine complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | 登録日 | 2018-01-22 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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7QU9
 | | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | | 分子名称: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | | 著者 | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | | 登録日 | 2022-01-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
To Be Published
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4QPS
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6YXY
 | | State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate | | 分子名称: | 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. | | 登録日 | 2020-05-04 | | 公開日 | 2020-10-14 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
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6V5P
 | | EGFR(T790M/V948R) in complex with LN2725 | | 分子名称: | 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2019-12-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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3KVO
 | | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) | | 分子名称: | Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2009-11-30 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
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