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Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
分子名称:	1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
著者	Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
登録日	2022-04-01
公開日	2022-08-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.711 Å)
主引用文献	In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop SSRN, 2022

6DWR

Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride
分子名称:	1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
著者	Luo, M, Eaton, C.N, Phillips-Piro, C.M.
登録日	2018-06-27
公開日	2019-07-03
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.319 Å)
主引用文献	Paired Spectroscopic and Crystallographic Studies of Protease Active Sites Chemistryselect, 4, 2019

8I2J

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称:	1-(4-methoxyphenyl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

6L01

Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称:	2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
著者	Mima, M, Takeuchi, T, Ushiyama, F.
登録日	2019-09-25
公開日	2020-05-06
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020

8I27

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称:	1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I4I

The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate and L-tryptophan
分子名称:	SULFATE ION, TRYPTOPHAN, TRYPTOPHANYL-5'AMP, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-19
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I2M

The crystal structure of homodimeric E. coli tryptophanyl-tRNA synthetase bound with niraparib at one of its two active sites
分子名称:	2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I1Y

The structure of E. coli TrpRS bound with a chemical fragment
分子名称:	5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-13
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.78 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8INH

ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase
分子名称:	Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者	Wang, Z.L, Wang, H.D, Li, F.D, Ye, M.
登録日	2023-03-09
公開日	2023-04-19
最終更新日	2023-06-14
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa. Chem Sci, 14, 2023

8I2A

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称:	1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

6DMM

Crystal structure of the G23A mutant of human alpha defensin HNP4.
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION
著者	Gohain, N, Tolbert, W.D, Pazgier, M.
登録日	2018-06-05
公開日	2019-01-30
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.67 Å)
主引用文献	Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019

8I2L

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称:	1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I1W

The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets
分子名称:	SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase
著者	Xiang, M, Zhou, H.
登録日	2023-01-13
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I1Z

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment
分子名称:	1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-13
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

8I2C

E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称:	1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ...
著者	Xiang, M, Zhou, H.
登録日	2023-01-14
公開日	2023-04-12
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (2.07 Å)
主引用文献	An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

6DM7

NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGG)
分子名称:	DNA (5'-D(CPCPCPCPGPCPCPCPC)-3'), DNA (5'-D(GPGPGPGPCPGPGPGPG)-3')
著者	Davis, E.V, Hennig, M, Arya, D.P.
登録日	2018-06-04
公開日	2019-06-12
最終更新日	2024-05-01
実験手法	SOLUTION NMR
主引用文献	An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences To Be Published

8IDS

Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258P in complex with maltotriose
分子名称:	Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者	Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H.
登録日	2023-02-14
公開日	2023-05-03
最終更新日	2024-05-29
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5. Molecules, 28, 2023

4UOV

The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability.
分子名称:	1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者	James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.
登録日	2014-06-10
公開日	2014-10-15
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014

8IDQ

Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose
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, CHLORIDE ION, ...
著者	Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T.
登録日	2023-02-14
公開日	2023-05-17
最終更新日	2023-08-23
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30. Proteins, 91, 2023

8IGR

Cryo-EM structure of CII-dependent transcription activation complex
分子名称:	DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者	Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y.
登録日	2023-02-21
公開日	2023-05-17
最終更新日	2023-08-16
実験手法	ELECTRON MICROSCOPY (3.1 Å)
主引用文献	Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023

8IGS

Cryo-EM structure of RNAP-promoter open complex at lambda promoter PRE
分子名称:	DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者	Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y.
登録日	2023-02-21
公開日	2023-05-17
最終更新日	2023-08-16
実験手法	ELECTRON MICROSCOPY (3.4 Å)
主引用文献	Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023

8IDP

Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus
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, DI(HYDROXYETHYL)ETHER, ...
著者	Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T.
登録日	2023-02-14
公開日	2023-05-17
最終更新日	2023-08-23
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30. Proteins, 91, 2023

6DU7

Glutathione reductase from Streptococcus pneumoniae
分子名称:	FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION
著者	Maher, M.J, Sikanyika, M.
登録日	2018-06-19
公開日	2019-01-16
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.56 Å)
主引用文献	The structure and activity of the glutathione reductase from Streptococcus pneumoniae. Acta Crystallogr F Struct Biol Commun, 75, 2019

6DDX

Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target
分子名称:	Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
著者	Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日	2018-05-10
公開日	2018-07-04
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.901 Å)
主引用文献	Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018

6DVR

Crystal structure of human CARM1 with (R)-SKI-72
分子名称:	(2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ...
著者	Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日	2018-06-25
公開日	2018-07-25
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.54 Å)
主引用文献	Crystal structure of human CARM1 with (R)-SKI-72 to be published

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