8DGB
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![BU of 8dgb by Molmil](/molmil-images/mine/8dgb) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-23 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8HVW
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![BU of 8hvw by Molmil](/molmil-images/mine/8hvw) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
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8DD1
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![BU of 8dd1 by Molmil](/molmil-images/mine/8dd1) | SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFN
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![BU of 8dfn by Molmil](/molmil-images/mine/8dfn) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DCZ
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![BU of 8dcz by Molmil](/molmil-images/mine/8dcz) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFE
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![BU of 8dfe by Molmil](/molmil-images/mine/8dfe) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8IG6
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![BU of 8ig6 by Molmil](/molmil-images/mine/8ig6) | Crystal structure of MERS main protease in complex with GC376 | Descriptor: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG5
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![BU of 8ig5 by Molmil](/molmil-images/mine/8ig5) | Crystal structure of SARS main protease in complex with GC376 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG7
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![BU of 8ig7 by Molmil](/molmil-images/mine/8ig7) | |
8IG9
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![BU of 8ig9 by Molmil](/molmil-images/mine/8ig9) | |
7P39
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![BU of 7p39 by Molmil](/molmil-images/mine/7p39) | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, Dextransucrase, ... | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | Deposit date: | 2021-07-07 | Release date: | 2021-11-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB. J.Agric.Food Chem., 69, 2021
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7P38
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![BU of 7p38 by Molmil](/molmil-images/mine/7p38) | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | Deposit date: | 2021-07-07 | Release date: | 2021-11-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB. J.Agric.Food Chem., 69, 2021
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8IG8
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![BU of 8ig8 by Molmil](/molmil-images/mine/8ig8) | |
8IGB
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![BU of 8igb by Molmil](/molmil-images/mine/8igb) | |
4DG3
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![BU of 4dg3 by Molmil](/molmil-images/mine/4dg3) | |
4DTJ
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![BU of 4dtj by Molmil](/molmil-images/mine/4dtj) | RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA. Biochemistry, 51, 2012
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4DU3
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![BU of 4du3 by Molmil](/molmil-images/mine/4du3) | RB69 DNA Polymerase Ternary Complex with dDTP Opposite dT with 3-Deaza-adenine at the N-1 Position of Template Strand | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-02-21 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA. Biochemistry, 51, 2012
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7CFQ
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![BU of 7cfq by Molmil](/molmil-images/mine/7cfq) | Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ... | Authors: | Zhao, J, Zhang, X, Zang, J. | Deposit date: | 2020-06-27 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the recognition of histone H3Q5 serotonylation by WDR5. Sci Adv, 7, 2021
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7CFP
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![BU of 7cfp by Molmil](/molmil-images/mine/7cfp) | |
4IU9
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![BU of 4iu9 by Molmil](/molmil-images/mine/4iu9) | Crystal structure of a membrane transporter | Descriptor: | Nitrite extrusion protein 2 | Authors: | Yan, H, Huang, W, Yan, C, Gong, X, Jiang, S, Zhao, Y, Wang, J, Shi, Y. | Deposit date: | 2013-01-20 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structure and mechanism of a nitrate transporter. Cell Rep, 3, 2013
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4IU8
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![BU of 4iu8 by Molmil](/molmil-images/mine/4iu8) | Crystal structure of a membrane transporter (selenomethionine derivative) | Descriptor: | NITRATE ION, Nitrite extrusion protein 2 | Authors: | Yan, H, Huang, W, Yan, C, Gong, X, Jiang, S, Zhao, Y, Wang, J, Shi, Y. | Deposit date: | 2013-01-20 | Release date: | 2013-04-17 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure and mechanism of a nitrate transporter. Cell Rep, 3, 2013
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3LD8
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![BU of 3ld8 by Molmil](/molmil-images/mine/3ld8) | Structure of JMJD6 and Fab Fragments | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | Deposit date: | 2010-01-12 | Release date: | 2010-08-04 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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5C8Y
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![BU of 5c8y by Molmil](/molmil-images/mine/5c8y) | Crystal structure of T2R-TTL-Plinabulin complex | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-26 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5CA1
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![BU of 5ca1 by Molmil](/molmil-images/mine/5ca1) | Crystal structure of T2R-TTL-Nocodazole complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-29 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5GXO
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![BU of 5gxo by Molmil](/molmil-images/mine/5gxo) | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase. Free Radic. Biol. Med., 112, 2017
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