6Y7M
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![BU of 6y7m by Molmil](/molmil-images/mine/6y7m) | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Zhang, L, Lin, D, Hilgenfeld, R. | Deposit date: | 2020-03-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
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6Y2E
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7ZJE
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![BU of 7zje by Molmil](/molmil-images/mine/7zje) | C16-2 | Descriptor: | Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-10 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJG
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![BU of 7zjg by Molmil](/molmil-images/mine/7zjg) | Probenecid | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-11 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJI
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7ZJH
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![BU of 7zjh by Molmil](/molmil-images/mine/7zjh) | TRPV2-C16+Pro-2 | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | Deposit date: | 2022-04-11 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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7ZJD
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8I1O
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8I1M
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![BU of 8i1m by Molmil](/molmil-images/mine/8i1m) | Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ... | Authors: | Zhang, L, Song, W.Y, Zhang, L. | Deposit date: | 2023-01-13 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2. Structure, 31, 2023
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8I1N
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4ZJB
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![BU of 4zjb by Molmil](/molmil-images/mine/4zjb) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) in complex with holo-ACP from Helicobacter pylori | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ... | Authors: | Zhang, L, Zhang, L, Shen, X, Jiang, H. | Deposit date: | 2015-04-29 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of FabZ-ACP complex reveals a dynamic seesaw-like catalytic mechanism of dehydratase in fatty acid biosynthesis. Cell Res., 26, 2016
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6Y72
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![BU of 6y72 by Molmil](/molmil-images/mine/6y72) | Pseudomonas stutzeri nitrous oxide reductase mutant, H178A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y71
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![BU of 6y71 by Molmil](/molmil-images/mine/6y71) | Pseudomonas stutzeri nitrous oxide reductase mutant, H130A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y6Y
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![BU of 6y6y by Molmil](/molmil-images/mine/6y6y) | Pseudomonas stutzeri nitrous oxide reductase mutant, H129A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y7E
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![BU of 6y7e by Molmil](/molmil-images/mine/6y7e) | Pseudomonas stutzeri nitrous oxide reductase mutant, H494A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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8B7S
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![BU of 8b7s by Molmil](/molmil-images/mine/8b7s) | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | Descriptor: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | Deposit date: | 2022-10-03 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol. Chembiochem, 24, 2023
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6Z2E
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![BU of 6z2e by Molmil](/molmil-images/mine/6z2e) | Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone | Descriptor: | (4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2020-05-15 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone To Be Published
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6Y77
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![BU of 6y77 by Molmil](/molmil-images/mine/6y77) | Pseudomonas stutzeri nitrous oxide reductase mutant, H326A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINUCLEAR COPPER ION, FORMIC ACID, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y7D
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![BU of 6y7d by Molmil](/molmil-images/mine/6y7d) | Pseudomonas stutzeri nitrous oxide reductase mutant, H433A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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1HGU
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![BU of 1hgu by Molmil](/molmil-images/mine/1hgu) | HUMAN GROWTH HORMONE | Descriptor: | HUMAN GROWTH HORMONE | Authors: | Chantalat, L, Jones, N, Korber, F, Navaza, J, Pavlovsky, A.G. | Deposit date: | 1995-05-11 | Release date: | 1995-12-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | THE CRYSTAL-STRUCTURE OF WILD-TYPE GROWTH-HORMONE AT 2.5 ANGSTROM RESOLUTION. Protein Pept.Lett., 2, 1995
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1HQ3
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![BU of 1hq3 by Molmil](/molmil-images/mine/1hq3) | CRYSTAL STRUCTURE OF THE HISTONE-CORE-OCTAMER IN KCL/PHOSPHATE | Descriptor: | CHLORIDE ION, HISTONE H2A-IV, HISTONE H2B, ... | Authors: | Chantalat, L, Nicholson, J.M, Lambert, S.J, Reid, A.J, Donovan, M.J, Reynolds, C.D, Wood, C.M, Baldwin, J.P. | Deposit date: | 2000-12-14 | Release date: | 2001-01-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the histone-core octamer in KCl/phosphate crystals at 2.15 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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5C1Y
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![BU of 5c1y by Molmil](/molmil-images/mine/5c1y) | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C20
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![BU of 5c20 by Molmil](/molmil-images/mine/5c20) | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C1U
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![BU of 5c1u by Molmil](/molmil-images/mine/5c1u) | Crystal structure of EV71 3C Proteinase in complex with Compound Xb | Descriptor: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C1X
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![BU of 5c1x by Molmil](/molmil-images/mine/5c1x) | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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