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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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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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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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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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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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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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
 | | 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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5ZBS
 | | Crystal Structure of Kinesin-3 KIF13B motor Y73C mutant | | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ren, J.Q, Wang, S, Feng, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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5ZBR
 | | Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form | | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J.Q, Wang, S, Feng, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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5ZG9
 | | Crystal structure of MoSub1-ssDNA complex in phosphate buffer | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION | | Authors: | Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J. | | Deposit date: | 2018-03-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
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2LWG
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2LWH
 | | NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin | | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN | | Authors: | Rettig, M, Germann, M.W, Wilson, W, Wang, S. | | Deposit date: | 2012-07-31 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
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2I9F
 | | Structure of the equine arterivirus nucleocapsid protein | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Deshpande, A, Wang, S, Walsh, M, Dokland, T. | | Deposit date: | 2006-09-05 | | Release date: | 2007-05-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the equine arteritis virus nucleocapsid protein reveals a dimer-dimer arrangement.
Acta Crystallogr.,Sect.D, 63, 2007
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2IAI
 | | Crystal structure of SCO3833, a member of the TetR transcriptional regulator family from Streptomyces coelicolor A3 | | Descriptor: | Putative transcriptional regulator SCO3833 | | Authors: | Zimmerman, M.D, Xu, X, Wang, S, Gu, J, Chruszcz, M, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of SCO3833, a member of the TetR transcriptional regulator family from Streptomyces coelicolor A3
To be Published
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2MUQ
 | | Solution Structure of the Human FAAP20 UBZ | | Descriptor: | Fanconi anemia-associated protein of 20 kDa, ZINC ION | | Authors: | Wojtaszek, J.L, Wang, S, Zhou, P. | | Deposit date: | 2014-09-16 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
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6J6V
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6J6W
 | | Mutant K23N of heat shock factor 4-DBD | | Descriptor: | Heat shock factor protein 4, NITRATE ION, SODIUM ION | | Authors: | Xiao, Z.Y, Cui, L.W, Wang, S, Liu, W. | | Deposit date: | 2019-01-16 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Structure of the mutant K23N of heat shock factor 4-DBD at 1.69 Angstroms resolution.
To Be Published
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6LF9
 | | Crystal structure of pSLA-1*1301 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: | 2021-03-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Peptidomes and Structures Illustrate How SLA-I Micropolymorphism Influences the Preference of Binding Peptide Length.
Front Immunol, 2022
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6LUQ
 | | Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin | | Authors: | Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S. | | Deposit date: | 2020-01-30 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands.
Nat Commun, 11, 2020
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7Y1B
 | | 3.2 angstrom cryo-EM structure of extracellular region of mouse Basigin-2 in complex with the Fab fragment of antibody 6E7F1 | | Descriptor: | Heavy chain of 6E7F1, Isoform 2 of Basigin, Light chain of 6E7F1 | | Authors: | Zhang, H, Yang, X, Xue, Y, Huang, Y, Mo, X, Zhang, H, Li, N, Gao, N, Li, X, Wang, S, Gao, Y, Liao, J. | | Deposit date: | 2022-06-08 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Allosteric modulation of monocarboxylate transporters 1 and 4 by targeting their chaperon Basigin
To Be Published
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7Y1Q
 | | 5.0 angstrom cryo-EM structure of transmembrane regions of mouse Basigin/MCT1 in complex with antibody 6E7F1 | | Descriptor: | Isoform 2 of Basigin, Monocarboxylate transporter 1 | | Authors: | Zhang, H, Yang, X, Xue, Y, Huang, Y, Mo, X, Zhang, H, Li, N, Gao, N, Li, X, Wang, S, Gao, Y, Liao, J. | | Deposit date: | 2022-06-08 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (5.03 Å) | | Cite: | Allosteric modulation of monocarboxylate transporters 1 and 4 by targeting their chaperon Basigin-2
To Be Published
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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
 | | 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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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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