3DOR
 
 | | Crystal Structure of mature CPAF | | Descriptor: | Protein CT_858, SULFATE ION | | Authors: | Chai, J, Huang, Z. | | Deposit date: | 2008-07-06 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
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3DPM
 | | Structure of mature CPAF complexed with lactacystin | | Descriptor: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine, Protein CT_858 | | Authors: | Chai, J, Huang, Z. | | Deposit date: | 2008-07-09 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
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8Y6F
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6PMJ
 | | Sigm28-transcription initiation complex with specific promoter at the state 2 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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6PMI
 | | Sigm28-transcription initiation complex with specific promoter at the state 1 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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8IBV
 | | Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Jiang, Y, Xu, H.E, You, C, Xu, Y. | | Deposit date: | 2023-02-10 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
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8IBU
 | | Cryo-EM structure of the erythromycin-bound motilin receptor-Gq protein complex | | Descriptor: | ERYTHROMYCIN A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | You, C, Jiang, Y, Xu, H.E, Xu, Y. | | Deposit date: | 2023-02-10 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
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7DNH
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3 | | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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7DNK
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9 | | Descriptor: | Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (6.41 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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7D64
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8JWL
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8JWO
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8JWM
 | | Crystal structure of AKRtyl-NADP-tylosin complex | | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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8JWK
 | | The second purified state crystal structure of AKRtyl | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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8JWN
 | | Crystal structure of AKRtyl-NADPH complex | | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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8XOJ
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1 | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8XOH
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of E2 | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8XOG
 | | Cryo-EM structure of apo-GPR30-Gq complex structure | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8XOF
 | | Cryo-EM structure of Lys05 bound GPR30-Gq complex structure | | Descriptor: | G protein subunit q, G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8XOI
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of fulvestrant | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8JT8
 | | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Chen, Z, Fan, L, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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5VAM
 | | BRAF in Complex with RAF709 | | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5VAL
 | | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-11-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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