8I2E
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5W1H
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8HYH
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![BU of 8hyh by Molmil](/molmil-images/mine/8hyh) | Structure of amino acid dehydrogenase3448 | Descriptor: | 1,2-ETHANEDIOL, Alanine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Sakuraba, H, Ohshima, T. | Deposit date: | 2023-01-06 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Two different alanine dehydrogenases from Geobacillus kaustophilus: Their biochemical characteristics and differential expression in vegetative cells and spores. Biochim Biophys Acta Proteins Proteom, 1871, 2023
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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5W58
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![BU of 5w58 by Molmil](/molmil-images/mine/5w58) | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | Deposit date: | 2017-06-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
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8I2D
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![BU of 8i2d by Molmil](/molmil-images/mine/8i2d) | Crystal structure of Bacillus subtilis LytE | Descriptor: | Probable peptidoglycan endopeptidase LytE | Authors: | Tandukar, S, Kwon, E, Kim, D.Y. | Deposit date: | 2023-01-14 | Release date: | 2023-04-19 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA. Structure, 31, 2023
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IFO
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![BU of 8ifo by Molmil](/molmil-images/mine/8ifo) | Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter | Descriptor: | DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ... | Authors: | Xu, T, Zhen, X, Liu, J. | Deposit date: | 2023-02-19 | Release date: | 2023-03-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element. Biochem.Biophys.Res.Commun., 656, 2023
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8I27
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8I2F
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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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8I5I
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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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8I5H
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8I2A
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5VT9
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8I8Y
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![BU of 8i8y by Molmil](/molmil-images/mine/8i8y) | A mutant of the C-terminal complex of proteins 4.1G and NuMA | Descriptor: | Engineered protein | Authors: | Hu, X. | Deposit date: | 2023-02-06 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain. Proc.Natl.Acad.Sci.USA, 120, 2023
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8I2L
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8I1W
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5VQ4
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![BU of 5vq4 by Molmil](/molmil-images/mine/5vq4) | Nitrogenase Av1 at pH 5 | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | Deposit date: | 2017-05-07 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site. J. Am. Chem. Soc., 139, 2017
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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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8ILZ
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![BU of 8ilz by Molmil](/molmil-images/mine/8ilz) | Crystal structure of the RRM domain of human SETD1B | Descriptor: | Histone-lysine N-methyltransferase SETD1B | Authors: | Bao, S, Xu, C. | Deposit date: | 2023-03-05 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Molecular insight into the SETD1A/B N-terminal region and its interaction with WDR82. Biochem.Biophys.Res.Commun., 658, 2023
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5VUM
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![BU of 5vum by Molmil](/molmil-images/mine/5vum) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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8ILY
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![BU of 8ily by Molmil](/molmil-images/mine/8ily) | Crystal structure of the RRM domain of human SETD1A | Descriptor: | SET domain containing 1A, histone lysine methyltransferase | Authors: | Bao, S, Xu, C. | Deposit date: | 2023-03-05 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular insight into the SETD1A/B N-terminal region and its interaction with WDR82. Biochem.Biophys.Res.Commun., 658, 2023
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