7RVX
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![BU of 7rvx by Molmil](/molmil-images/mine/7rvx) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24 | Descriptor: | 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7PTM
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![BU of 7ptm by Molmil](/molmil-images/mine/7ptm) | Crystal Structure of Two-Domain Laccase mutant M199G/R240H from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I. | Deposit date: | 2021-09-27 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. Int J Mol Sci, 23, 2021
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7RVN
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![BU of 7rvn by Molmil](/molmil-images/mine/7rvn) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7PU0
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7S71
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![BU of 7s71 by Molmil](/molmil-images/mine/7s71) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVY
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![BU of 7rvy by Molmil](/molmil-images/mine/7rvy) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25 | Descriptor: | 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S75
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![BU of 7s75 by Molmil](/molmil-images/mine/7s75) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6W
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![BU of 7s6w by Molmil](/molmil-images/mine/7s6w) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6Z
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![BU of 7s6z by Molmil](/molmil-images/mine/7s6z) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6Y
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![BU of 7s6y by Molmil](/molmil-images/mine/7s6y) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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5HNL
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![BU of 5hnl by Molmil](/molmil-images/mine/5hnl) | In-house X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | Descriptor: | Lysozyme C | Authors: | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | Deposit date: | 2016-01-18 | Release date: | 2016-07-20 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels. Acta Crystallogr D Struct Biol, 72, 2016
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7S73
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![BU of 7s73 by Molmil](/molmil-images/mine/7s73) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | Descriptor: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S9M
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5XOQ
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![BU of 5xoq by Molmil](/molmil-images/mine/5xoq) | |
5XPK
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1WTR
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![BU of 1wtr by Molmil](/molmil-images/mine/1wtr) | Hyperthermophile chromosomal protein SAC7D single mutant M29A in complex with DNA GCGATCGC | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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7S9J
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![BU of 7s9j by Molmil](/molmil-images/mine/7s9j) | Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dC | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Freudenthal, B.D, Ryan, B.J. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication. J.Am.Chem.Soc., 144, 2022
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1WTP
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![BU of 1wtp by Molmil](/molmil-images/mine/1wtp) | Hyperthermophile chromosomal protein SAC7D single mutant M29F in complex with DNA GCGA(UBr)CGC | Descriptor: | 5'-D(*GP*CP*GP*AP*(BRU)P*CP*GP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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7S9P
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![BU of 7s9p by Molmil](/molmil-images/mine/7s9p) | Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Ryan, B.J, Smith, M.R. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication. J.Am.Chem.Soc., 144, 2022
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5XRF
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![BU of 5xrf by Molmil](/molmil-images/mine/5xrf) | Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus | Descriptor: | DI(HYDROXYETHYL)ETHER, Snake venom serine protease Da-36, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, C.-C, Wu, W.-G, Fan, Q, Tian, J, Zhang, Z, Zheng, Y. | Deposit date: | 2017-06-08 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus To Be Published
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7S9K
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![BU of 7s9k by Molmil](/molmil-images/mine/7s9k) | Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dA | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Freudenthal, B.D, Ryan, B.J. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication. J.Am.Chem.Soc., 144, 2022
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7S9Q
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![BU of 7s9q by Molmil](/molmil-images/mine/7s9q) | Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dATP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | Authors: | Freudenthal, B.D, Ryan, B.J, Smith, M.R. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication. J.Am.Chem.Soc., 144, 2022
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7S9L
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![BU of 7s9l by Molmil](/molmil-images/mine/7s9l) | |
1X46
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![BU of 1x46 by Molmil](/molmil-images/mine/1x46) | Crystal structure of a hemoglobin component (TA-VII) from Tokunagayusurika akamusi | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin component VII | Authors: | Kuwada, T, Hasegawa, T, Sato, S, Sato, I, Ishikawa, K, Takagi, T, Shishikura, F. | Deposit date: | 2005-05-14 | Release date: | 2005-05-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of two hemoglobin components from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera). Gene, 398, 2007
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5X3M
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![BU of 5x3m by Molmil](/molmil-images/mine/5x3m) | |