6ACB
 
 | | Crystal structure of PDE5 in complex with inhibitor LW1805 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-07-26 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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7DJO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-20 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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4YVQ
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5VSN
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1O1G
 | | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-11-19 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular modeling of averaged rigor crossbridges from tomograms of insect flight muscle.
J.Struct.Biol., 138, 2002
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7DL6
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DNU
 | | mRNA-decapping enzyme g5Rp with inhibitor insp6 complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R | | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | | Deposit date: | 2020-12-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
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7DNR
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7YBP
 | | Crystal structure of FGFR4(V550L) kinase domain with 10z | | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
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7YBX
 | | Crystal structure of FGFR4(V550M) kinase domain with 10z | | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | | Deposit date: | 2022-06-30 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
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5FA8
 | | SAM complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicu | | Descriptor: | MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ... | | Authors: | Ouyang, S. | | Deposit date: | 2015-12-11 | | Release date: | 2016-06-29 | | Last modified: | 2016-09-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
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7YF7
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2OBS
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4OBX
 | | Crystal structure of yeast Coq5 in the apo form | | Descriptor: | 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2014-01-07 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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6W1J
 | | Cryo-EM structure of 5HT3A receptor in presence of Alosetron | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Basak, S, Chakrapani, S. | | Deposit date: | 2020-03-04 | | Release date: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition.
Elife, 9, 2020
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2OBT
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4FJY
 | | Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-12 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
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7Y9O
 | | Crystal structure of a CYP109B4 variant from Bacillus sonorensis | | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-25 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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7Y97
 | | Crystal structure of CYP109B4 from Bacillus Sonorensis | | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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7Y98
 | | Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
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5UZT
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8U1D
 | | Cryo-EM structure of vaccine-elicited CD4 binding site antibody DH1285 bound to HIV-1 CH505TFchim.6R.SOSIP.664v4.1 Env Local Refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1285 Heavy Chain, DH1285 Light Chain, ... | | Authors: | Thakur, B, Stalls, V.D, Acharya, P. | | Deposit date: | 2023-08-31 | | Release date: | 2024-01-03 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Vaccine induction of CD4-mimicking HIV-1 broadly neutralizing antibody precursors in macaques.
Cell, 187, 2024
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1O1C
 | | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-11-18 | | Release date: | 2002-12-04 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.Struct.Biol., 138, 2002
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1O1B
 | | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-11-15 | | Release date: | 2002-12-04 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.Struct.Biol., 138, 2002
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7E5Y
 | | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | | Deposit date: | 2021-02-21 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
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