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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S74
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7UON
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![BU of 7uon by Molmil](/molmil-images/mine/7uon) | CTX-M-14 Y105W mutant | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | 登録日 | 2022-04-13 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase. Commun Biol, 6, 2023
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5HAQ
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![BU of 5haq by Molmil](/molmil-images/mine/5haq) | OXa-48 beta-lactamase mutant - S70G | 分子名称: | Beta-lactamase, CADMIUM ION, FORMIC ACID | 著者 | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2015-12-30 | 公開日 | 2016-09-07 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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8G0W
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5HAP
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![BU of 5hap by Molmil](/molmil-images/mine/5hap) | OXA-48 beta-lactamase - S70A mutant | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | 著者 | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2015-12-30 | 公開日 | 2016-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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7RVU
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7RVZ
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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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S72
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![BU of 7s72 by Molmil](/molmil-images/mine/7s72) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6X
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![BU of 7s6x by Molmil](/molmil-images/mine/7s6x) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based 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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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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 | 分子名称: | (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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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5EVJ
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![BU of 5evj by Molmil](/molmil-images/mine/5evj) | X-ray crystal structure of CrArsM, an arsenic (III) S-adenosylmethionine methyltransferase from Chlamydomonas reinhardtii | 分子名称: | Arsenite methyltransferase, SODIUM ION | 著者 | Packianathan, C, Kandavelu, P, Sankaran, B, Rosen, B.P. | 登録日 | 2015-11-19 | 公開日 | 2016-11-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of CrArsM, an arsenic (III) S-adenosylmethionine methyltransferase from Chlamydomonas reinhardtii To Be Published
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4S2L
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![BU of 4s2l by Molmil](/molmil-images/mine/4s2l) | Crystal Structure of OXA-163 beta-lactamase | 分子名称: | Beta-lactamase, SODIUM ION | 著者 | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | 登録日 | 2015-01-21 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
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8FBZ
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![BU of 8fbz by Molmil](/molmil-images/mine/8fbz) | Crystal Structure of apo human Glutathione Synthetase Y270E | 分子名称: | GLYCEROL, Glutathione synthetase, SULFATE ION | 著者 | Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N. | 登録日 | 2022-11-30 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy. Sci Adv, 10, 2024
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4YE2
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4RX2
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![BU of 4rx2 by Molmil](/molmil-images/mine/4rx2) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis | 分子名称: | Beta-lactamase TEM, SULFATE ION | 著者 | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | 登録日 | 2014-12-08 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.315 Å) | 主引用文献 | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
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5HAR
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![BU of 5har by Molmil](/molmil-images/mine/5har) | OXA-163 beta-lactamase - S70G mutant | 分子名称: | ACETATE ION, Beta-lactamase, CHLORIDE ION | 著者 | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2015-12-30 | 公開日 | 2016-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5HAI
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![BU of 5hai by Molmil](/molmil-images/mine/5hai) | P99 beta-lactamase mutant - S64G | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | 登録日 | 2015-12-30 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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4ZNI
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![BU of 4zni by Molmil](/molmil-images/mine/4zni) | Thermus Phage P74-26 Large Terminase ATPase domain (I 2 3 space group) | 分子名称: | Phage terminase large subunit, SULFATE ION | 著者 | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Sankaran, B, Kelch, B.A. | 登録日 | 2015-05-04 | 公開日 | 2015-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | 主引用文献 | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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5HCW
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7S70
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![BU of 7s70 by Molmil](/molmil-images/mine/7s70) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-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 | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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