5H3O
 
 | | Structure of a eukaryotic cyclic nucleotide-gated channel | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel, SODIUM ION | | Authors: | Li, M, Zhou, X, Wang, S, Michailidis, I, Gong, Y, Su, D, Li, H, Li, X, Yang, J. | | Deposit date: | 2016-10-26 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of a eukaryotic cyclic-nucleotide-gated channel.
Nature, 542, 2017
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5GYJ
 | | Structure of catalytically active sortase from Clostridium difficile | | Descriptor: | Putative peptidase C60B, sortase B | | Authors: | Yin, J.-C, Fei, C.-H, Hsiao, Y.-Y, Nix, J.C, Huang, I.-H, Wang, S. | | Deposit date: | 2016-09-22 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural Insights into Substrate Recognition by Clostridium difficile Sortase.
Front Cell Infect Microbiol, 6, 2016
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4OI6
 | | Crystal structure analysis of nickel-bound form SCO4226 from Streptomyces coelicolor A3(2) | | Descriptor: | CITRIC ACID, NICKEL (II) ION, Nickel responsive protein | | Authors: | Lu, M, Jiang, Y.L, Wang, S, Cheng, W, Zhang, R.G, Virolle, M.J, Chen, Y, Zhou, C.Z. | | Deposit date: | 2014-01-18 | | Release date: | 2014-09-10 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Streptomyces coelicolor SCO4226 Is a Nickel Binding Protein.
Plos One, 9, 2014
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4OI3
 | | Crystal structure analysis of SCO4226 from Streptomyces coelicolor A3(2) | | Descriptor: | Nickel responsive protein | | Authors: | Lu, M, Jiang, Y.L, Wang, S, Cheng, W, Zhang, R.G, Virolle, M.J, Chen, Y, Zhou, C.Z. | | Deposit date: | 2014-01-18 | | Release date: | 2014-09-17 | | Last modified: | 2014-10-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Streptomyces coelicolor SCO4226 Is a Nickel Binding Protein.
Plos One, 9, 2014
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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4GM3
 | | Crystal structure of human WD repeat domain 5 with compound MM-101 | | Descriptor: | MM-101, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.393 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | Descriptor: | MM-102, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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4GM9
 | | Crystal structure of human WD repeat domain 5 with compound MM-401 | | Descriptor: | MM-401, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401
To be Published
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5TJB
 | | I-II linker of TRPML1 channel at pH 4.5 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5TJA
 | | I-II linker of TRPML1 channel at pH 6 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5TJC
 | | I-II linker of TRPML1 channel at pH 7.5 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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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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7GZL
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008304-001 | | Descriptor: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid, 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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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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7H0J
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012318-001 | | Descriptor: | 6-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-2,3-dihydro-4H-1,4lambda~6~-benzoxathiine-4,4-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 (1.15 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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7H10
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013259-001 | | Descriptor: | 7-[(1R)-1-{[6-(methanesulfonyl)-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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7GZ9
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000462-001 | | Descriptor: | Non-structural protein 3, N~2~-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valinamide | | 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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7H1G
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012329-001 | | 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~-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 (1.24 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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7GZD
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000593-001 | | Descriptor: | (3R)-3-(pyridin-4-yl)-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 (1.16 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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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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