7KQT
 
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2P1W
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2Q8Y
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5KEI
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IUM
 | | Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | | Descriptor: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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8IUL
 | | Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | | Descriptor: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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8IUK
 | | Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex | | Descriptor: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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5H21
 | | Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
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7CHF
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7CHH
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with BD-368-2 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-368-2 Fab heavy chain, ... | | Authors: | Xiao, J, Zhu, Q, Wang, G. | | Deposit date: | 2020-07-05 | | Release date: | 2020-09-16 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
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7CHE
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7CH4
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7CHB
 | | Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ... | | Authors: | Xiao, J, Zhu, Q. | | Deposit date: | 2020-07-05 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
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7CHC
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7CH5
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6USF
 | | CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ... | | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | | Deposit date: | 2019-10-26 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
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6UR8
 | | CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4, Neuronal acetylcholine receptor subunit beta-2, ... | | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | | Deposit date: | 2019-10-22 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
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3D5Q
 | | Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor | | Descriptor: | 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Liu, J, Sudom, A, Walker, N.P.C. | | Deposit date: | 2008-05-16 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
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7CKK
 | | Structural complex of FTO bound with Dac51 | | Descriptor: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide, Alpha-ketoglutarate-dependent dioxygenase FTO, N-OXALYLGLYCINE | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Tumors exploit FTO-mediated regulation of glycolytic metabolism to evade immune surveillance.
Cell Metab., 33, 2021
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8H8J
 | | Lodoxamide-bound GPR35 in complex with G13 | | Descriptor: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ... | | Authors: | Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y. | | Deposit date: | 2022-10-23 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35.
Cell Discov, 8, 2022
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8DH1
 | | T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair | | Descriptor: | 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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8DH5
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8DH3
 | | T7 RNA polymerase elongation complex with unnatural base dPa | | Descriptor: | Non-template strand DNA, RNA, T7 RNA polymerase, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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