PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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6QLY	IDOL FERM domain 分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, SULFATE ION 著者 Martinelli, L, Sixma, T.K. 登録日 2019-02-01 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site. J.Biol.Chem., 295, 2020
8FQO	ADC-33 in complex with boronic acid transition state inhibitor MB076 分子名称: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. 登録日 2023-01-06 公開日 2023-07-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
6Q4U	KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*(DOC))-3'), ... 著者 Kropp, H.M, Diederichs, K, Marx, A. 登録日 2018-12-06 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.005 Å) 主引用文献 The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide. Angew.Chem.Int.Ed.Engl., 58, 2019
6Q56	Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK 分子名称: NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase 著者 Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C. 登録日 2018-12-07 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition. Nucleic Acids Res., 47, 2019
9AR1	Structure of Epimerase Mth373 bound to uridine-5'-diphosphate-xylopyranose 分子名称: 1,2-ETHANEDIOL, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S. 登録日 2024-02-22 公開日 2025-01-29 最終更新日 2025-09-17 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structural characterisation of nucleotide sugar short-chain dehydrogenases/reductases from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus Delta H. Febs J., 2025
4Y4T	Endothiapepsin in complex with fragment 114 分子名称: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.301 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6P1O	Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dAMP 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. 登録日 2019-05-20 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
6P1T	Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound CMPCPP 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... 著者 Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. 登録日 2019-05-20 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
6VYD	Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-02-26 公開日 2020-07-08 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases. Nat Commun, 11, 2020
8SND	Chlorella virus Hyaluronan Synthase bound to GlcNAc primer and UDP-GlcA 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... 著者 Stephens, Z, Zimmer, J. 登録日 2023-04-27 公開日 2024-05-01 最終更新日 2025-02-05 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural insights into translocation and tailored synthesis of hyaluronan. Nat.Struct.Mol.Biol., 32, 2025
6XXM	Crystal Structure of Human Deoxyhypusine Synthase in complex with putrescine 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIAMINOBUTANE, Deoxyhypusine synthase 著者 Wator, E, Wilk, P, Grudnik, P. 登録日 2020-01-27 公開日 2020-04-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
8FQU	ADC-219 in complex with boronic acid transition state inhibitor MB076 分子名称: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. 登録日 2023-01-06 公開日 2023-07-05 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
6QYA	Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with dUMP 分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ... 著者 Pozzi, C, Mangani, M. 登録日 2019-03-08 公開日 2019-04-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
6P8Z	Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor 分子名称: 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ... 著者 Mohr, C. 登録日 2019-06-08 公開日 2019-08-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. Acs Med.Chem.Lett., 10, 2019
6P1W	Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming CMPCPP 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... 著者 Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. 登録日 2019-05-20 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
4Y8C	Crystal structure of phosphodiesterase 9 in complex with (S)-C33 分子名称: 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Huang, M. 登録日 2015-02-16 公開日 2015-09-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
8XB0	Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 分子名称: 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... 著者 Tong, S.L, Zhang, G.P. 登録日 2023-12-05 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
6XXL	Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Wator, E, Wilk, P, Grudnik, P. 登録日 2020-01-27 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
8AKF	Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide 分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
4YRM	Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443) 分子名称: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ... 著者 Koh, C.-Y, Hol, W.G.J. 登録日 2015-03-15 公開日 2015-08-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8KGA	SlNDPS1-AtcPT4 Chimera 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimethylallylcistransferase CPT1, ... 著者 Suenaga-Hiromori, M, Ishii, T, Imaizumi, R, Takeshita, K, Yanai, T, Matsuura, H, Sakai, N, Yamaguchi, H, Yanbe, F, Waki, T, Tozawa, Y, Miyagi-Inoue, Y, Yamamoto, M, Kataoka, K, Nakayama, T, Yamashita, S, Takahashi, S. 登録日 2023-08-18 公開日 2024-08-21 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.182 Å) 主引用文献 Biosynthesising various rubber-like polymers by reconstituting prenyltransferases on Hevea rubber particles: molecular and structural bases of the versatile system To Be Published
6INR	The crystal structure of phytoplasmal effector causing phyllody symptoms 1 (PHYL1) 分子名称: CADMIUM ION, Putative effector, AYWB SAP54-like protein 著者 Liao, Y.T, Lin, S.S, Ko, T.P, Wang, H.C. 登録日 2018-10-26 公開日 2019-07-31 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structural insights into the interaction between phytoplasmal effector causing phyllody 1 and MADS transcription factors. Plant J., 100, 2019
4Y51	Endothiapepsin in complex with fragment 52 分子名称: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
8AK9	Human Sirt6 in complex with ADP-ribose and fragment Isatin 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK7	Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine 分子名称: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

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