8IDC
 
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8IDB
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8IDD
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP bound FtsEX/RipC complex in peptidisc | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | | Authors: | Li, J, Xu, X, Luo, M. | | Deposit date: | 2023-02-12 | | Release date: | 2023-10-04 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis.
Nat Commun, 14, 2023
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8IGQ
 | | Cryo-EM structure of Mycobacterium tuberculosis ADP bound FtsEX/RipC complex in peptidisc | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | | Authors: | Li, J, Xu, X, Luo, M. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-04 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis.
Nat Commun, 14, 2023
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6LKX
 | | The structure of PRRSV helicase | | Descriptor: | CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ... | | Authors: | Shi, Y.J, Tong, X.H, Peng, G.Q. | | Deposit date: | 2019-12-20 | | Release date: | 2020-05-27 | | Last modified: | 2021-06-09 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
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4PHW
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8K4B
 | | Cryo-EM structure of nucleotide-bound ComA with ZinC ion | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Competence factor transporting ATP-binding protein/permease ComA, ZINC ION | | Authors: | Yu, L, Xin, X, Min, L, Feng, H. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of peptide secretion for Quorum sensing by ComA.
Nat Commun, 14, 2023
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8K7A
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8I6Q
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4P0N
 | | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | | Descriptor: | GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
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4P1R
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5IZ7
 | | Cryo-EM structure of thermally stable Zika virus strain H/PF/2013 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, structural protein E, structural protein M | | Authors: | Kostyuchenko, V.A, Zhang, S, Fibriansah, G, Lok, S.M. | | Deposit date: | 2016-03-25 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the thermally stable Zika virus
Nature, 533, 2016
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4C62
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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4MUW
 | | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | | Descriptor: | 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ... | | Authors: | Chmait, S, Jordan, S. | | Deposit date: | 2013-09-23 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.639 Å) | | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
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4MVH
 | | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | | Descriptor: | 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ... | | Authors: | Chmait, S, Jordan, S. | | Deposit date: | 2013-09-24 | | Release date: | 2013-10-23 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.496 Å) | | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
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6WMI
 | | ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | | Authors: | Ren, R, Horton, J.R, Cheng, X. | | Deposit date: | 2020-04-21 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
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5TR4
 | | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | | Authors: | Sintchak, M.D. | | Deposit date: | 2016-10-25 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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4C61
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J.A, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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6IVD
 | | TGEV nsp1 mutant - 91-95sg | | Descriptor: | nsp1 mutant protein | | Authors: | Shen, Z, Peng, G.Q. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
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6IVC
 | | The full length of TGEV nsp1 | | Descriptor: | nsp1 protein | | Authors: | Shen, Z, Peng, G.Q. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
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6IWI
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
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5E1E
 | | Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution | | Descriptor: | 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1 | | Authors: | Ferguson, A.D. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-25 | | Last modified: | 2015-12-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ENM
 | | Compound 10 | | Descriptor: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Lewis, H.A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
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5ENK
 | | Compound 18 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Lewis, H.A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
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1I9D
 | | ARSENATE REDUCTASE FROM E. COLI | | Descriptor: | ARSENATE REDUCTASE, CESIUM ION, SULFATE ION, ... | | Authors: | Martin, P, Edwards, B.F. | | Deposit date: | 2001-03-19 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme.
Structure, 9, 2001
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