8UPW
| Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPS
| Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UTE
| Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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4S2U
| Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli | Descriptor: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase | Authors: | Timofeev, V.I, Abramchik, Y.A, Muravieva, T.I, Iaroslavtceva, A.K, Stepanenko, V.N, Zhukhlistova, N.E, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2015-01-23 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli To be Published
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8T7C
| Crystal structure of human phospholipase C gamma 2 | Descriptor: | 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION | Authors: | Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J. | Deposit date: | 2023-06-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition To Be Published
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3UK7
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3TWO
| The crystal structure of CAD from Helicobacter pylori complexed with NADP(H) | Descriptor: | Mannitol dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Seo, K.H, Zhuang, N.N, Cong, C, Lee, K.H. | Deposit date: | 2011-09-22 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Unusual NADPH conformation in the crystal structure of a cinnamyl alcohol dehydrogenase from Helicobacter pylori in complex with NADP(H) and substrate docking analysis Febs Lett., 586, 2012
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4IRB
| Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase Mutant del171-172D4 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Schormann, N, Zhukovskaya, N, Sartmatova, D, Nuth, M, Ricciardi, R.P, Chattopadhyay, D. | Deposit date: | 2013-01-14 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mutations at the dimer interface affect both function and structure of the Vaccinia virus uracil DNA glycosylase To be Published
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3QNA
| Crystal structure of a 6-pyruvoyltetrahydropterin synthase homologue from Esherichia coli complexed sepiapterin | Descriptor: | 6-carboxy-5,6,7,8-tetrahydropterin synthase, BIOPTERIN, ZINC ION | Authors: | Seo, K.H, Zhuang, N.N, Lee, K.H. | Deposit date: | 2011-02-08 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of a novel activity of bacterial 6-pyruvoyltetrahydropterin synthase homologues distinct from mammalian 6-pyruvoyltetrahydropterin synthase activity. Acta Crystallogr.,Sect.D, 70, 2014
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3QN0
| Structure of 6-pyruvoyltetrahydropterin synthase | Descriptor: | 6-carboxy-5,6,7,8-tetrahydropterin synthase, ZINC ION | Authors: | Seo, K.H, Zhuang, N.N, Lee, K.H. | Deposit date: | 2011-02-07 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis of a novel activity of bacterial 6-pyruvoyltetrahydropterin synthase homologues distinct from mammalian 6-pyruvoyltetrahydropterin synthase activity. Acta Crystallogr.,Sect.D, 70, 2014
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3QN9
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3ORF
| Crystal Structure of Dihydropteridine Reductase from Dictyostelium discoideum | Descriptor: | Dihydropteridine reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chen, C, Zhuang, N.N, Seo, K.H, Park, Y.S, Lee, K.H. | Deposit date: | 2010-09-07 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural insights into the dual substrate specificities of mammalian and Dictyostelium dihydropteridine reductases toward two stereoisomers of quinonoid dihydrobiopterin Febs Lett., 585, 2011
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