7SUS
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![BU of 7sus by Molmil](/molmil-images/mine/7sus) | Crystal structure of Apelin receptor in complex with small molecule | Descriptor: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | Authors: | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | Deposit date: | 2021-11-18 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insight into apelin receptor-G protein stoichiometry. Nat.Struct.Mol.Biol., 29, 2022
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6OUG
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![BU of 6oug by Molmil](/molmil-images/mine/6oug) | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2 | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | Deposit date: | 2019-05-04 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance. Biochemistry, 59, 2020
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3VTR
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![BU of 3vtr by Molmil](/molmil-images/mine/3vtr) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase | Authors: | Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q. | Deposit date: | 2012-06-02 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase Plos One, 7, 2012
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4R99
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![BU of 4r99 by Molmil](/molmil-images/mine/4r99) | Crystal structure of a uricase from Bacillus fastidious | Descriptor: | SULFATE ION, Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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7O26
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![BU of 7o26 by Molmil](/molmil-images/mine/7o26) | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (5'dA + Methionine) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBON MONOXIDE, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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8AZS
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![BU of 8azs by Molmil](/molmil-images/mine/8azs) | Type I amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | Deposit date: | 2022-09-06 | Release date: | 2022-11-02 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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8DGY
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![BU of 8dgy by Molmil](/molmil-images/mine/8dgy) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution) | Descriptor: | 3C-like proteinase, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-06-24 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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4R8X
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![BU of 4r8x by Molmil](/molmil-images/mine/4r8x) | Crystal structure of a uricase from Bacillus fastidious | Descriptor: | Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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6YB1
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![BU of 6yb1 by Molmil](/molmil-images/mine/6yb1) | Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc | Descriptor: | GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL | Authors: | Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F. | Deposit date: | 2020-03-15 | Release date: | 2021-04-07 | Last modified: | 2021-07-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Constructing ion channels from water-soluble alpha-helical barrels. Nat.Chem., 13, 2021
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8E61
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![BU of 8e61 by Molmil](/molmil-images/mine/8e61) | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorophenyl dimethyl sulfane inhibitor | Descriptor: | (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E5Z
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![BU of 8e5z by Molmil](/molmil-images/mine/8e5z) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor | Descriptor: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E6A
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![BU of 8e6a by Molmil](/molmil-images/mine/8e6a) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorophenylethanol based inhibitor | Descriptor: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E68
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![BU of 8e68 by Molmil](/molmil-images/mine/8e68) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor | Descriptor: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8AZU
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![BU of 8azu by Molmil](/molmil-images/mine/8azu) | Paired helical tau filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | PHF Tau | Descriptor: | Microtubule-associated protein tau | Authors: | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | Deposit date: | 2022-09-06 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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8E63
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![BU of 8e63 by Molmil](/molmil-images/mine/8e63) | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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1VPR
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![BU of 1vpr by Molmil](/molmil-images/mine/1vpr) | |
7MEY
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![BU of 7mey by Molmil](/molmil-images/mine/7mey) | Structure of yeast Ubr1 in complex with Ubc2 and monoubiquitinated N-degron | Descriptor: | 2-(ethylamino)ethane-1-thiol, E3 ubiquitin-protein ligase UBR1, Monoubiquitinated N-degron, ... | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-11-24 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination. Nature, 600, 2021
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1C72
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![BU of 1c72 by Molmil](/molmil-images/mine/1c72) | TYR115, GLN165 AND TRP209 CONTRIBUTE TO THE 1,2-EPOXY-3-(P-NITROPHENOXY)PROPANE CONJUGATING ACTIVITIES OF GLUTATHIONE S-TRANSFERASE CGSTM1-1 | Descriptor: | 1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE, PROTEIN (GLUTATHIONE S-TRANSFERASE) | Authors: | Chern, M.K, Wu, T.C, Hsieh, C.H, Chou, C.C, Liu, L.F, Kuan, I.C, Yeh, Y.H, Hsiao, C.D, Tam, M.F. | Deposit date: | 2000-02-02 | Release date: | 2000-08-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Tyr115, gln165 and trp209 contribute to the 1, 2-epoxy-3-(p-nitrophenoxy)propane-conjugating activity of glutathione S-transferase cGSTM1-1. J.Mol.Biol., 300, 2000
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1G86
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![BU of 1g86 by Molmil](/molmil-images/mine/1g86) | CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX | Descriptor: | CHARCOT-LEYDEN CRYSTAL PROTEIN, N-ETHYLMALEIMIDE | Authors: | Ackerman, S.J, Liu, L, Kwatia, M.A, Savage, M.P, Leonidas, D.D, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2000-11-16 | Release date: | 2002-06-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Charcot-Leyden crystal protein (galectin-10) is not a dual function galectin with lysophospholipase activity but binds a lysophospholipase inhibitor in a novel structural fashion. J.Biol.Chem., 277, 2002
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1HDK
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![BU of 1hdk by Molmil](/molmil-images/mine/1hdk) | Charcot-Leyden Crystal Protein - pCMBS Complex | Descriptor: | EOSINOPHIL LYSOPHOSPHOLIPASE, PARA-MERCURY-BENZENESULFONIC ACID | Authors: | Ackerman, S.J, Savage, M.P, Liu, L, Leonidas, D.D, Kwatia, M.A, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2000-11-16 | Release date: | 2001-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Charcot-Leyden Crystal Protein (Galectin-10) is not a Dual Function Galectin with Lysophospholipase Activity But Binds a Lysophospholipase Inhibitor in a Novel Structural Fashion. J.Biol.Chem., 277, 2002
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7MEX
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![BU of 7mex by Molmil](/molmil-images/mine/7mex) | Structure of yeast Ubr1 in complex with Ubc2 and N-degron | Descriptor: | E3 ubiquitin-protein ligase UBR1, N-degron, Ubiquitin, ... | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination. Nature, 600, 2021
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8KAK
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![BU of 8kak by Molmil](/molmil-images/mine/8kak) | |
8KAI
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![BU of 8kai by Molmil](/molmil-images/mine/8kai) | |
8KAL
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8E69
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![BU of 8e69 by Molmil](/molmil-images/mine/8e69) | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorodimethyl oxybenzene inhibitor | Descriptor: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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