PDB: 2561 件ウェブページステータス検索Chemie searchBIRD

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7KCF	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512 分子名称: 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ... 著者 Padyana, A, Jin, L. 登録日 2020-10-05 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
7KDA	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34 分子名称: 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 著者 Padyana, A, Jin, L. 登録日 2020-10-08 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
7KDB	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, ... 著者 Padyana, A, Jin, L. 登録日 2020-10-08 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
7KCC	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 分子名称: 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... 著者 Padyana, A, Jin, L. 登録日 2020-10-05 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
1IFX	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD 分子名称: NH(3)-DEPENDENT NAD(+) SYNTHETASE, NICOTINIC ACID ADENINE DINUCLEOTIDE 著者 Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. 登録日 2001-04-13 公開日 2001-06-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
1IH8	NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. 分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase 著者 Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. 登録日 2001-04-18 公開日 2001-06-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
1KEE	Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin 分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthetase large chain, ... 著者 Miles, B.W, Thoden, J.B, Holden, H.M, Raushel, F.M. 登録日 2001-11-15 公開日 2001-12-21 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Inactivation of the amidotransferase activity of carbamoyl phosphate synthetase by the antibiotic acivicin. J.Biol.Chem., 277, 2002
8QDZ	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11 分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE3	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31 分子名称: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.089 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE1	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.095 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QDY	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8 分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE2	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.109 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE0	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
3ZFH	Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase 分子名称: CHLORIDE ION, INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE 著者 Rao, V.A, Shepherd, S.M, Owen, R, Hunter, W.N. 登録日 2012-12-11 公開日 2013-01-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure of Pseudomonas Aeruginosa Inosine 5'-Monophosphate Dehydrogenase Acta Crystallogr.,Sect.F, 69, 2013
4WS9	Crystal structure of sMAT N159G from Sulfolobus solfataricus 分子名称: PHOSPHATE ION, S-adenosylmethionine synthase 著者 Wang, F, Brady, E.L, Singh, S, Clinger, J.A, Huber, T.D, Thorson, J.S, Phillips Jr, G.N. 登録日 2014-10-26 公開日 2014-11-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.803 Å) 主引用文献 Crystal structure of sMAT N159G from Sulfolobus solfataricus. To Be Published
7P1H	Structure of the V. vulnificus ExoY-G-actin-profilin complex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... 著者 Belyy, A, Merino, F, Raunser, S. 登録日 2021-07-01 公開日 2021-11-17 最終更新日 2021-12-01 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Mechanism of actin-dependent activation of nucleotidyl cyclase toxins from bacterial human pathogens. Nat Commun, 12, 2021
6FCB	Human Methionine Adenosyltransferase II mutant (P115G) 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-20 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6FBP	Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-19 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6FBN	Human Methionine Adenosyltransferase II mutant (Q113A) 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-19 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6FAJ	The structure of Human Methionine Adenosyltransferase II in apo state 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-2, ... 著者 Bradley-Clarke, J, Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-15 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds Febs J., 2020
6FBO	Human Methionine Adenosyltransferase II mutant (S114A) in I222 crystal form 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-19 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6FCD	Human Methionine Adenosyltransferase II mutant (R264A) 分子名称: 1,2-ETHANEDIOL, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-20 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6HK4	Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 分子名称: 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... 著者 Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. 登録日 2018-09-05 公開日 2019-07-17 最終更新日 2019-08-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
2W70	Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment 分子名称: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION 著者 Mochalkin, I, Miller, J.R. 登録日 2008-12-19 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6Q	Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment 分子名称: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION 著者 Mochalkin, I, Miller, J.R. 登録日 2008-12-18 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009

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