7OXH
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![BU of 7oxh by Molmil](/molmil-images/mine/7oxh) | ttSlyD with pseudo-wild-type S2 peptide | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 30S ribosomal protein S2, CHLORIDE ION, ... | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OXJ
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![BU of 7oxj by Molmil](/molmil-images/mine/7oxj) | ttSlyD with M8A pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, Fragment of 30S ribosomal protein S2 peptide, ... | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OXI
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![BU of 7oxi by Molmil](/molmil-images/mine/7oxi) | ttSlyD with W4A pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OXK
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![BU of 7oxk by Molmil](/molmil-images/mine/7oxk) | ttSlyD with W4K pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, Peptidyl-prolyl cis-trans isomerase | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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5VKG
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![BU of 5vkg by Molmil](/molmil-images/mine/5vkg) | Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole | Descriptor: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein | Authors: | Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C. | Deposit date: | 2017-04-21 | Release date: | 2017-11-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Tsg101 chaperone function revealed by HIV-1 assembly inhibitors. Nat Commun, 8, 2017
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5H4P
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![BU of 5h4p by Molmil](/molmil-images/mine/5h4p) | Structural snapshot of cytoplasmic pre-60S ribosomal particles bound with Nmd3, Lsg1, Tif6 and Reh1 | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Ma, C, Wu, S, Li, N, Chen, Y, Yan, K, Li, Z, Zheng, L, Lei, J, Woolford, J.L, Gao, N. | Deposit date: | 2016-11-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structural snapshot of cytoplasmic pre-60S ribosomal particles bound by Nmd3, Lsg1, Tif6 and Reh1 Nat. Struct. Mol. Biol., 24, 2017
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6AGF
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![BU of 6agf by Molmil](/molmil-images/mine/6agf) | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | Deposit date: | 2018-08-11 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1. Science, 362, 2018
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2YKR
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![BU of 2ykr by Molmil](/molmil-images/mine/2ykr) | 30S ribosomal subunit with RsgA bound in the presence of GMPPNP | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Guo, Q, Yuan, Y, Xu, Y, Feng, B, Liu, L, Chen, K, Lei, J, Gao, N. | Deposit date: | 2011-05-30 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural Basis for the Function of a Small Gtpase Rsga on the 30S Ribosomal Subunit Maturation Revealed by Cryoelectron Microscopy. Proc.Natl.Acad.Sci.USA, 108, 2011
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6LQG
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![BU of 6lqg by Molmil](/molmil-images/mine/6lqg) | Human gamma-secretase in complex with small molecule Avagacestat | Descriptor: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-13 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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6LR4
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![BU of 6lr4 by Molmil](/molmil-images/mine/6lr4) | Molecular basis for inhibition of human gamma-secretase by small molecule | Descriptor: | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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3JCT
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![BU of 3jct by Molmil](/molmil-images/mine/3jct) | Cryo-em structure of eukaryotic pre-60S ribosomal subunits | Descriptor: | 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | Authors: | Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N. | Deposit date: | 2016-03-09 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes Nature, 534, 2016
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3O5Z
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![BU of 3o5z by Molmil](/molmil-images/mine/3o5z) | Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R. | Deposit date: | 2010-07-28 | Release date: | 2011-08-10 | Last modified: | 2014-09-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit Acta Crystallogr.,Sect.F, 67, 2011
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6LZ0
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![BU of 6lz0 by Molmil](/molmil-images/mine/6lz0) | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-02-16 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7FAY
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![BU of 7fay by Molmil](/molmil-images/mine/7fay) | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7FAZ
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![BU of 7faz by Molmil](/molmil-images/mine/7faz) | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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7FCV
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![BU of 7fcv by Molmil](/molmil-images/mine/7fcv) | Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana | Descriptor: | PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1 | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L. | Deposit date: | 2021-07-15 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis. Nat Commun, 13, 2022
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3D3F
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![BU of 3d3f by Molmil](/molmil-images/mine/3d3f) | |
4WTR
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![BU of 4wtr by Molmil](/molmil-images/mine/4wtr) | Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose | Descriptor: | beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | Deposit date: | 2014-10-30 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft. Acta Crystallogr.,Sect.D, 71, 2015
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4WTP
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![BU of 4wtp by Molmil](/molmil-images/mine/4wtp) | Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei | Descriptor: | 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | Deposit date: | 2014-10-30 | Release date: | 2015-08-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft. Acta Crystallogr.,Sect.D, 71, 2015
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4WTS
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![BU of 4wts by Molmil](/molmil-images/mine/4wts) | Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose | Descriptor: | beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | Deposit date: | 2014-10-30 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft. Acta Crystallogr.,Sect.D, 71, 2015
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6A91
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![BU of 6a91 by Molmil](/molmil-images/mine/6a91) | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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6A95
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![BU of 6a95 by Molmil](/molmil-images/mine/6a95) | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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8JOP
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![BU of 8jop by Molmil](/molmil-images/mine/8jop) | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | Deposit date: | 2023-06-08 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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