6M3M
 
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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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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
 | | 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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8W56
 | | Cryo-EM structure of DSR2-DSAD1 state 1 | | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-08-25 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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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: | 2024-05-08 | | 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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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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7T6V
 | | Structure of the human FPR2-Gi complex with fMLFII | | 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(i) subunit alpha-1, ... | | Authors: | Zhuang, Y.W. | | Deposit date: | 2021-12-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
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7T6U
 | | Structure of the human FPR2-Gi complex with CGEN-855A | | Descriptor: | B9-scFv, 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: | Zhuang, Y.W. | | Deposit date: | 2021-12-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
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7T6T
 | | Structure of the human FPR1-Gi complex with fMLFII | | 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(i) subunit alpha-1, ... | | Authors: | Zhuang, Y.W. | | Deposit date: | 2021-12-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
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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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8XKN
 | | Cryo-EM structure of tail tube protein | | Descriptor: | a protein | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-12-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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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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7T6S
 | | Structure of the human FPR2-Gi complex with compound C43 | | 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(i) subunit alpha-1, ... | | Authors: | Zhuang, Y.W. | | Deposit date: | 2021-12-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
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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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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: | 2023-11-29 | | 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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2EXX
 | | Crystal structure of HSCARG from Homo sapiens in complex with NADP | | Descriptor: | GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-11-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
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6LOX
 | | Crystal Structure of human glutaminase with macrocyclic inhibitor | | Descriptor: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial | | Authors: | Bian, J, Li, Z, Xu, X, Wang, J, Li, L. | | Deposit date: | 2020-01-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
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7XPN
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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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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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8HQN
 | | Activation mechanism of GPR132 by 9(S)-HODE | | Descriptor: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, 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: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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8HQE
 | | Cryo-EM structure of the apo-GPR132-Gi | | 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(i) subunit alpha-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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8HQM
 | | Activation mechanism of GPR132 by NPGLY | | 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(i) subunit alpha-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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