8WKN
 
 | | Cryo-EM structure of DSR2-DSAD1 | | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-09-28 | | Release date: | 2024-05-01 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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8YN8
 | | Cryo-EM structure of histamine H3 receptor in complex with proxyfan and miniGo | | Descriptor: | 5-(3-phenylmethoxypropyl)-1H-imidazole, Antibody fragment scFv16, CHOLESTEROL, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-16 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN4
 | | Cryo-EM structure of histamine H2 receptor in complex with histamine and miniGq | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Engineered guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN7
 | | Cryo-EM structure of histamine H3 receptor in complex with immethridine and miniGo | | Descriptor: | 4-(1H-imidazol-4-ylmethyl)pyridine, Antibody fragment scFv16, CHOLESTEROL, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN6
 | | Cryo-EM structure of histamine H3 receptor in complex with imetit and Gi | | Descriptor: | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, Antibody fragment scFv16, CHOLESTEROL, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN2
 | | Cryo-EM structure of histamine H1 receptor in complex with histamine and miniGq | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Engineered guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN9
 | | Cryo-EM structure of histamine H4 receptor in complex with histamine and Gi | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8YN5
 | | Cryo-EM structure of histamine H3 receptor in complex with histamine and Gi | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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7KHJ
 | | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state | | Descriptor: | 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit | | Authors: | Zhang, Y. | | Deposit date: | 2020-10-21 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
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7KHK
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8YN3
 | | Cryo-EM structure of histamine H2 receptor in complex with histamine and miniGs | | Descriptor: | CHOLESTEROL, Engineered guanine nucleotide,binding protein G(s) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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7KHG
 | | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 | | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit | | Authors: | Zhang, Y. | | Deposit date: | 2020-10-21 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
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8YNA
 | | Cryo-EM structure of histamine H4 receptor in complex with immepip and Gi | | Descriptor: | 4-(1H-imidazol-5-ylmethyl)piperidine, Antibody fragment scFv16, CHOLESTEROL, ... | | Authors: | Zhang, X, Liu, G, Li, X, Gong, W. | | Deposit date: | 2024-03-10 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Structural basis of ligand recognition and activation of the histamine receptor family.
Nat Commun, 15, 2024
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8JNK
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8JNR
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7CJF
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | | Deposit date: | 2020-07-10 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.108 Å) | | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7Y4H
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7XQE
 | | Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 | | Descriptor: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... | | Authors: | Wu, X, Li, C, Zhang, Y, Xu, Y. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
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7EXC
 | | Crystal structure of T2R-TTL-1129A2 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Yang, J.H, Yan, W. | | Deposit date: | 2021-05-26 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | Authors: | zhang, Y, Li, C.C, wu, X.S. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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6NJH
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 | | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | Descriptor: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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6NJI
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 | | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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