5XWW
 
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7O2C
 | | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | | 分子名称: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Steuber, H. | | 登録日 | 2021-03-30 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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3T5Z
 | | Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide | | 分子名称: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ... | | 著者 | Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G. | | 登録日 | 2011-07-28 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
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5BX7
 | | PKA in complex with a benzothiophene fragment compound. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | | 著者 | Narayanan, D, Alam, K.A, Engh, R.A. | | 登録日 | 2015-06-08 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
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5BYI
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1ADG
 | | CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | | 分子名称: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | | 著者 | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | | 登録日 | 1993-10-18 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
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7O2B
 | | X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | | 分子名称: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Steuber, H. | | 登録日 | 2021-03-30 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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6CDN
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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3T83
 | | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | | 分子名称: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose, 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose, Carbonic anhydrase 2, ... | | 著者 | Hofmann, A, Wang, C.K. | | 登録日 | 2011-08-01 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
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5C04
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3TFL
 | | LytR-Cps2a-Psr family protein with bound octaprenyl pyrophosphate lipid | | 分子名称: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, CPS2A, ... | | 著者 | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | | 登録日 | 2011-08-16 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | A widespread family of bacterial cell wall assembly proteins.
Embo J., 30, 2011
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7KFN
 | | Structure of Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA containing a 2'-deoxy Benner's Base Z opposite the edited base | | 分子名称: | Double-stranded RNA-specific editase 1, Gli1 1W5 23mer RNA, Gli1 8AZ 23mer RNA, ... | | 著者 | Wilcox, X.E, Fisher, A.J, Beal, P.A. | | 登録日 | 2020-10-14 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position.
J.Am.Chem.Soc., 143, 2021
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4LZ2
 | | Crystal structure of the bromodomain of human BAZ2A | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | | 著者 | Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Bradley, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-07-31 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
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5X8C
 | | AMPPCP and TMP bound crystal structure of thymidylate kinase from thermus thermophilus HB8 | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | 登録日 | 2017-03-02 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5XRJ
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5X8J
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4LZO
 | | Crystal structure of human PRS1 A87T mutant | | 分子名称: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | 著者 | Chen, P, Teng, M, Li, X. | | 登録日 | 2013-07-31 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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6CIJ
 | | Cryo-EM structure of mouse RAG1/2 HFC complex containing partial HMGB1 linker(3.9 A) | | 分子名称: | CALCIUM ION, DNA (30-MER), DNA (41-MER), ... | | 著者 | Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W. | | 登録日 | 2018-02-24 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
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6CUZ
 | | Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate | | 分子名称: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ... | | 著者 | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | 登録日 | 2018-03-27 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4S0Z
 | | Crystal structure of M26V human DJ-1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1 | | 著者 | Milkovic, N.M, Wilson, M.A. | | 登録日 | 2015-01-07 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
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1ZRT
 | | Rhodobacter capsulatus cytochrome bc1 complex with stigmatellin bound | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Cytochrome b, Cytochrome c1, ... | | 著者 | Berry, E.A, Huang, L.S, Saechao, L.K, Pon, N.G, Valkova-Valchanov, M, Daldal, F. | | 登録日 | 2005-05-22 | | 公開日 | 2005-06-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | | 主引用文献 | X-Ray Structure of Rhodobacter Capsulatus Cytochrome bc (1): Comparison with its Mitochondrial and Chloroplast Counterparts.
Photosynth.Res., 81, 2004
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6CY8
 | | Crystal structure of FAD-dependent dehydrogenase | | 分子名称: | 4'-PHOSPHOPANTETHEINE, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ... | | 著者 | Agarwal, V. | | 登録日 | 2018-04-05 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.729 Å) | | 主引用文献 | Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Biochemistry, 58, 2019
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4M72
 | | Mutant structure of methyltransferase from Streptomyces hygroscopicus | | 分子名称: | (2R)-2-hydroxy-3-phenylpropanoic acid, (2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid, CALCIUM ION, ... | | 著者 | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | | 登録日 | 2013-08-12 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
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5ZHI
 | | Apo crystal structure of TrmD from Mycobacterium tuberculosis | | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | 登録日 | 2018-03-13 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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3TEP
 | | LytR-CPS2a-Psr family protein with bound octaprenyl pyrophosphate lipid and magnesium ion | | 分子名称: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, CPS2A, ... | | 著者 | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | | 登録日 | 2011-08-15 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | A widespread family of bacterial cell wall assembly proteins.
Embo J., 30, 2011
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