7GZ4
 
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001 | | Descriptor: | 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, 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 (1.119 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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7H01
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011192-001 | | Descriptor: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 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 (1.38 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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7GZV
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012336-001 | | Descriptor: | 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 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 (1.18 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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7GZZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011184-001 | | Descriptor: | 2-[(4M)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N-methylacetamide, 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 (1.166 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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7H16
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0015776-001 | | Descriptor: | 7-{(1R)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.18 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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7H1A
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013833-001 | | 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 (1.15 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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7H0S
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013769-001 | | Descriptor: | 4-{[(1S)-1-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 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 (1.29 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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7H1F
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0015381-001 | | Descriptor: | N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide, 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 (1.15 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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6JJP
 | | Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ... | | Authors: | Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M. | | Deposit date: | 2019-02-26 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
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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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3X0Y
 | | Crystal structure of FMN-bound DszC from Rhodococcus erythropolis D-1 | | Descriptor: | DszC, FLAVIN MONONUCLEOTIDE | | Authors: | Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M. | | Deposit date: | 2014-10-23 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
Febs J., 282, 2015
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1YJU
 | | Solution structure of the apo form of the sixth soluble domain of Menkes protein | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJT
 | | Solution structure of the Cu(I) form of the sixth soluble domain A69P mutant of Menkes protein | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S. | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJR
 | | Solution structure of the apo form of the sixth soluble domain A69P mutant of Menkes protein | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJV
 | | Solution structure of the Cu(I) form of the sixth soluble domain of Menkes protein | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S. | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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4LMY
 | | Structure of GAS PerR-Zn-Zn | | Descriptor: | Peroxide stress regulator PerR, FUR family, ZINC ION | | Authors: | Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding
Plos One, 9, 2014
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2FEX
 | | The Crystal Structure of DJ-1 Superfamily Protein Atu0886 from Agrobacterium tumefaciens | | Descriptor: | GLYCEROL, SULFATE ION, conserved hypothetical protein | | Authors: | Cymborowski, M.T, Wang, S, Chruszcz, M, Shumilin, I, Gu, J, Xu, X, Edwards, A.M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-16 | | Release date: | 2006-01-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of DJ-1 Superfamily Protein Atu0886 from Agrobacterium tumefaciens
To be Published
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4XPD
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4XNH
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7GYZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000035-001 | | Descriptor: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea, 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 (1.123 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
 | | 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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7GZE
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000601-001 | | Descriptor: | (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-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 (1.14 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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7GZI
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000753-001 | | Descriptor: | 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-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 (1.3 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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7GZF
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000605-001 | | Descriptor: | (3R)-3-(4-bromophenyl)-3-[(1-methyl-1H-pyrazolo[3,4-b]pyridine-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 (1.18 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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7GZH
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000670-001 | | Descriptor: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-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 (1.25 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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