1SFK
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![BU of 1sfk by Molmil](/molmil-images/mine/1sfk) | Core (C) protein from West Nile Virus, subtype Kunjin | Descriptor: | CALCIUM ION, CHLORIDE ION, Core protein, ... | Authors: | Dokland, T, Walsh, M, Mackenzie, J.M, Khromykh, A.A, Ee, K.-H, Wang, S. | Deposit date: | 2004-02-19 | Release date: | 2004-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | West nile virus core protein; tetramer structure and ribbon formation Structure, 12, 2004
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1JQ0
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![BU of 1jq0 by Molmil](/molmil-images/mine/1jq0) | Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Mutant structure. | Descriptor: | gp41 envelope protein | Authors: | Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M. | Deposit date: | 2001-08-03 | Release date: | 2002-04-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex. J.Biol.Chem., 277, 2002
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7WC5
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![BU of 7wc5 by Molmil](/molmil-images/mine/7wc5) | Crystal structure of serotonin 2A receptor in complex with psilocin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC6
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![BU of 7wc6 by Molmil](/molmil-images/mine/7wc6) | Crystal structure of serotonin 2A receptor in complex with LSD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC9
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![BU of 7wc9 by Molmil](/molmil-images/mine/7wc9) | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | Descriptor: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC7
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![BU of 7wc7 by Molmil](/molmil-images/mine/7wc7) | Crystal structure of serotonin 2A receptor in complex with lisuride | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC8
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![BU of 7wc8 by Molmil](/molmil-images/mine/7wc8) | Crystal structure of serotonin 2A receptor in complex with lumateperone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC4
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![BU of 7wc4 by Molmil](/molmil-images/mine/7wc4) | Crystal structure of serotonin 2A receptor in complex with serotonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7YH5
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![BU of 7yh5 by Molmil](/molmil-images/mine/7yh5) | MazG(Mycobacterium tuberculosis) | Descriptor: | MAGNESIUM ION, Nucleoside triphosphate pyrophosphohydrolase | Authors: | Li, J, Wang, S. | Deposit date: | 2022-07-12 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of the housecleaning nucleoside triphosphate pyrophosphohydrolase MazG from Mycobacterium tuberculosis. Front Microbiol, 14, 2023
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7VOE
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![BU of 7voe by Molmil](/molmil-images/mine/7voe) | Crystal structure of 5-HT2AR in complex with aripiprazole | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
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7VOD
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![BU of 7vod by Molmil](/molmil-images/mine/7vod) | Crystal structure of 5-HT2AR in complex with cariprazine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
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7DTL
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![BU of 7dtl by Molmil](/molmil-images/mine/7dtl) | Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala | Descriptor: | PSK | Authors: | Xiao, C, Xiao, Z, Wang, S, Liu, W. | Deposit date: | 2021-01-05 | Release date: | 2021-07-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala. Acta Crystallogr D Struct Biol, 77, 2021
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7ETT
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![BU of 7ett by Molmil](/molmil-images/mine/7ett) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | Deposit date: | 2021-05-14 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETV
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![BU of 7etv by Molmil](/molmil-images/mine/7etv) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | Deposit date: | 2021-05-14 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETU
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![BU of 7etu by Molmil](/molmil-images/mine/7etu) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | Deposit date: | 2021-05-14 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETS
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![BU of 7ets by Molmil](/molmil-images/mine/7ets) | Crystal structure of crp protein from Gardnerella Vaginalis | Descriptor: | Crp/Fnr family transcriptional regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dong, H.J, Wang, S, Zhang, J.M, Gu, L. | Deposit date: | 2021-05-13 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of crp protein from Gardnerella Vaginalis To Be Published
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1BQJ
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![BU of 1bqj by Molmil](/molmil-images/mine/1bqj) | CRYSTAL STRUCTURE OF D(ACCCT) | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*T)-3') | Authors: | Weil, J, Min, T, Yang, C, Wang, S, Sutherland, C, Sinha, N, Kang, C.H. | Deposit date: | 1998-08-17 | Release date: | 1999-03-18 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Stabilization of the i-motif by intramolecular adenine-adenine-thymine base triple in the structure of d(ACCCT). Acta Crystallogr.,Sect.D, 55, 1999
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5WSO
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![BU of 5wso by Molmil](/molmil-images/mine/5wso) | |
7GZ2
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![BU of 7gz2 by Molmil](/molmil-images/mine/7gz2) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000072-001 | Descriptor: | (2R)-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)azepane-2-carboxylic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.137 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZR
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![BU of 7gzr by Molmil](/molmil-images/mine/7gzr) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008273-001 | Descriptor: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.455 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ8
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![BU of 7gz8 by Molmil](/molmil-images/mine/7gz8) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000453-001 | Descriptor: | (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZJ
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![BU of 7gzj by Molmil](/molmil-images/mine/7gzj) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000789-001 | Descriptor: | (2R)-(2,3-dihydro-1,4-benzodioxin-6-yl)[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.475 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0A
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![BU of 7h0a by Molmil](/molmil-images/mine/7h0a) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008485-001 | Descriptor: | 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0Z
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![BU of 7h0z by Molmil](/molmil-images/mine/7h0z) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013269-001 | Descriptor: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-sulfonamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ3
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![BU of 7gz3 by Molmil](/molmil-images/mine/7gz3) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000090-001 | Descriptor: | (2S,3S)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyloxolane-3-carboxamide, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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