6DWR
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![BU of 6dwr by Molmil](/molmil-images/mine/6dwr) | Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Luo, M, Eaton, C.N, Phillips-Piro, C.M. | Deposit date: | 2018-06-27 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.319 Å) | Cite: | Paired Spectroscopic and Crystallographic Studies of Protease Active Sites Chemistryselect, 4, 2019
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7ZFM
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![BU of 7zfm by Molmil](/molmil-images/mine/7zfm) | Engineered Protein Targeting the Zika Viral Envelope Fusion Loop | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop SSRN, 2022
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8I2J
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6L01
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![BU of 6l01 by Molmil](/molmil-images/mine/6l01) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | Descriptor: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | Deposit date: | 2019-09-25 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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8I27
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8I4I
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8I2M
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8I1Y
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![BU of 8i1y by Molmil](/molmil-images/mine/8i1y) | The structure of E. coli TrpRS bound with a chemical fragment | Descriptor: | 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... | Authors: | Xiang, M, Zhou, H. | Deposit date: | 2023-01-13 | Release date: | 2023-04-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
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8INH
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![BU of 8inh by Molmil](/molmil-images/mine/8inh) | ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Wang, Z.L, Wang, H.D, Li, F.D, Ye, M. | Deposit date: | 2023-03-09 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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8I2A
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6DMM
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![BU of 6dmm by Molmil](/molmil-images/mine/6dmm) | Crystal structure of the G23A mutant of human alpha defensin HNP4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-06-05 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019
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8I2L
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8I1W
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8I1Z
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![BU of 8i1z by Molmil](/molmil-images/mine/8i1z) | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ... | Authors: | Xiang, M, Zhou, H. | Deposit date: | 2023-01-13 | Release date: | 2023-04-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
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8I2C
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6DM7
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8IDS
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![BU of 8ids by Molmil](/molmil-images/mine/8ids) | Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258P in complex with maltotriose | Descriptor: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H. | Deposit date: | 2023-02-14 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
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4UOV
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![BU of 4uov by Molmil](/molmil-images/mine/4uov) | The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability. | Descriptor: | 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, ... | Authors: | James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J. | Deposit date: | 2014-06-10 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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8IDQ
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![BU of 8idq by Molmil](/molmil-images/mine/8idq) | Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose | Descriptor: | 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, ... | Authors: | Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T. | Deposit date: | 2023-02-14 | Release date: | 2023-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30. Proteins, 91, 2023
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8IGR
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![BU of 8igr by Molmil](/molmil-images/mine/8igr) | Cryo-EM structure of CII-dependent transcription activation complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y. | Deposit date: | 2023-02-21 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023
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8IGS
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![BU of 8igs by Molmil](/molmil-images/mine/8igs) | Cryo-EM structure of RNAP-promoter open complex at lambda promoter PRE | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y. | Deposit date: | 2023-02-21 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023
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8IDP
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![BU of 8idp by Molmil](/molmil-images/mine/8idp) | Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus | Descriptor: | 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, ... | Authors: | Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T. | Deposit date: | 2023-02-14 | Release date: | 2023-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30. Proteins, 91, 2023
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6DU7
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![BU of 6du7 by Molmil](/molmil-images/mine/6du7) | Glutathione reductase from Streptococcus pneumoniae | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION | Authors: | Maher, M.J, Sikanyika, M. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The structure and activity of the glutathione reductase from Streptococcus pneumoniae. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6DDX
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![BU of 6ddx by Molmil](/molmil-images/mine/6ddx) | Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | 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) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DVR
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![BU of 6dvr by Molmil](/molmil-images/mine/6dvr) | Crystal structure of human CARM1 with (R)-SKI-72 | Descriptor: | (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, ... | Authors: | 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) | Deposit date: | 2018-06-25 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of human CARM1 with (R)-SKI-72 to be published
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