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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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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6KWN
| Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWL
| Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWO
| Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWK
| Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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4PQW
| Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer. Biochem.Biophys.Res.Commun., 446, 2014
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6LF8
| Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-11-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode. J Immunol., 208, 2022
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4QXA
| Crystal structure of the Rab9A-RUTBC2 RBD complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-9A, ... | Authors: | Zhang, Z, Wang, S, Ding, J. | Deposit date: | 2014-07-19 | Release date: | 2014-09-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the Rab9A-RUTBC2 RBD complex reveals the molecular basis for the binding specificity of Rab9A with RUTBC2. Structure, 22, 2014
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2K6W
| Solution structures of apo PCuA (trans conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K70
| Solution structures of copper loaded form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | COPPER (I) ION, Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P.A, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-29 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K6Z
| Solution structures of copper loaded form PCuA (trans conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | COPPER (I) ION, Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P.A, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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6LPC
| Crystal Structure of rat Munc18-1 with K332E/K333E mutation | Descriptor: | Syntaxin-binding protein 1 | Authors: | Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C. | Deposit date: | 2020-01-09 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.402 Å) | Cite: | Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly. Embo J., 39, 2020
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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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2K6V
| Solution structures of apo Sco1 protein from Thermus Thermophilus | Descriptor: | Putative cytochrome c oxidase assembly protein | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K6Y
| Solution structures of apo form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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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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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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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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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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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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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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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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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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