6JPE
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![BU of 6jpe by Molmil](/molmil-images/mine/6jpe) | Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1 | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide, SULFATE ION | Authors: | Chen, X, Dai, S, Zhou, Z, Chen, Y. | Deposit date: | 2019-03-26 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma. J.Med.Chem., 63, 2020
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7CLZ
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6KFW
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6L69
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![BU of 6l69 by Molmil](/molmil-images/mine/6l69) | Crystal structure of CYP154C2 from Streptomyces avermitilis | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S. | Deposit date: | 2019-10-28 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis. Biochem.Biophys.Res.Commun., 522, 2020
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7SHU
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![BU of 7shu by Molmil](/molmil-images/mine/7shu) | IgE-Fc in complex with omalizumab variant C02 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ... | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | Deposit date: | 2021-10-11 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex. Nat Commun, 12, 2021
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7SHZ
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![BU of 7shz by Molmil](/molmil-images/mine/7shz) | IgE-Fc in complex with HAE | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | Deposit date: | 2021-10-11 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex. Nat Commun, 12, 2021
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7SHY
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![BU of 7shy by Molmil](/molmil-images/mine/7shy) | IgE-Fc in complex with omalizumab scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ... | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | Deposit date: | 2021-10-11 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex. Nat Commun, 12, 2021
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7SI0
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![BU of 7si0 by Molmil](/molmil-images/mine/7si0) | IgE-Fc in complex with 813 | Descriptor: | 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ... | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | Deposit date: | 2021-10-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex. Nat Commun, 12, 2021
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7SHT
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5UGC
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![BU of 5ugc by Molmil](/molmil-images/mine/5ugc) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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6LOI
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5UG8
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![BU of 5ug8 by Molmil](/molmil-images/mine/5ug8) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5UG9
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![BU of 5ug9 by Molmil](/molmil-images/mine/5ug9) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5UGA
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![BU of 5uga by Molmil](/molmil-images/mine/5uga) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5UGB
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7XQE
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![BU of 7xqe by Molmil](/molmil-images/mine/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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2J5F
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2J5E
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7YSX
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![BU of 7ysx by Molmil](/molmil-images/mine/7ysx) | Crystal structure of PDE4D complexed with licoisoflavone A | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-13 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
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![BU of 7yqf by Molmil](/molmil-images/mine/7yqf) | Crystal structure of PDE4D complexed with glycyrrhisoflavone | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-06 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JP2
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![BU of 8jp2 by Molmil](/molmil-images/mine/8jp2) | Crystal structure of AKR1C1 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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8JP1
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![BU of 8jp1 by Molmil](/molmil-images/mine/8jp1) | Crystal structure of AKR1C3 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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7VUZ
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![BU of 7vuz by Molmil](/molmil-images/mine/7vuz) | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, state2 | Descriptor: | CHOLESTEROL, 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: | Li, Y, Yang, F. | Deposit date: | 2021-11-04 | Release date: | 2021-12-01 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure, function and pharmacology of human itch receptor complexes. Nature, 600, 2021
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7VV4
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7VDM
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![BU of 7vdm by Molmil](/molmil-images/mine/7vdm) | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with substance P | Descriptor: | CHOLESTEROL, 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: | Li, Y, Yang, F. | Deposit date: | 2021-09-07 | Release date: | 2021-12-01 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structure, function and pharmacology of human itch receptor complexes. Nature, 600, 2021
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