7YNC
 
 | | Cryo-EM structure of Cas7-11-crRNA bound to target RNA-3 | | Descriptor: | CRISPR-associated RAMP family protein, Target RNA-3 (28-MER), crRNA (38-MER) | | Authors: | Huo, Y, Dong, Q, Zhao, H, Jiang, T. | | Deposit date: | 2022-07-30 | | Release date: | 2023-02-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Cryo-EM structure and protease activity of the type III-E CRISPR-Cas effector.
Nat Microbiol, 8, 2023
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7YNA
 | | Cryo-EM structure of Cas7-11-crRNA bound to target RNA-1 | | Descriptor: | CRISPR-associated RAMP family protein, Target RNA-1 (25-MER), crRNA (38-MER) | | Authors: | Huo, Y, Dong, Q, Zhao, H, Jiang, T. | | Deposit date: | 2022-07-30 | | Release date: | 2023-02-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Cryo-EM structure and protease activity of the type III-E CRISPR-Cas effector.
Nat Microbiol, 8, 2023
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7YNB
 | | Cryo-EM structure of Cas7-11-crRNA bound to target RNA-2 | | Descriptor: | CRISPR-associated RAMP family protein, Target RNA-2 (28-MER), crRNA (38-MER) | | Authors: | Huo, Y, Dong, Q, Zhao, H, Jiang, T. | | Deposit date: | 2022-07-30 | | Release date: | 2023-02-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Cryo-EM structure and protease activity of the type III-E CRISPR-Cas effector.
Nat Microbiol, 8, 2023
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7YND
 | | Cryo-EM structure of Cas7-11-crRNA-Csx29 ternary complex | | Descriptor: | CHAT domain-containing protein, CRISPR-associated RAMP family protein, crRNA (38-MER) | | Authors: | Huo, Y, Dong, Q, Zhao, H, Jiang, T. | | Deposit date: | 2022-07-30 | | Release date: | 2023-02-01 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Cryo-EM structure and protease activity of the type III-E CRISPR-Cas effector.
Nat Microbiol, 8, 2023
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7EJH
 | | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex | | Descriptor: | 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72883928 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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7EJJ
 | | Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex | | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.80000663 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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7EJI
 | | Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.560016 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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5IP0
 | | PHA Binding Protein PhaP (Phasin) | | Descriptor: | CADMIUM ION, PHA granule-associated protein | | Authors: | Chen, G.Q, Wang, X.Q, Zhao, H.Y. | | Deposit date: | 2016-03-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila
Sci Rep, 6, 2016
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8HDL
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4GAH
 | | Human acyl-CoA thioesterases 4 in complex with undecan-2-one-CoA inhibitor | | Descriptor: | Thioesterase superfamily member 4, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate | | Authors: | Lim, K, Pathak, M.C, Herzberg, O. | | Deposit date: | 2012-07-25 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Correlation of structure and function in the human hotdog-fold enzyme hTHEM4.
Biochemistry, 51, 2012
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6M56
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2H96
 | | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | | Descriptor: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | | Authors: | Abad-Zapatero, C. | | Deposit date: | 2006-06-09 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
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4G2F
 | | Human EphA3 kinase domain in complex with compound 7 | | Descriptor: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2012-07-12 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
ACS MED.CHEM.LETT., 3, 2012
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4BCG
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4BCP
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4PCI
 | | Crystal Structure of the first bromodomain of BRD4 in complex with B16 | | Descriptor: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2014-04-15 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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4PCE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2014-04-15 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.293 Å) | | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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8SLR
 | | Crystal Structure of mouse TRAIL | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pedersen, L.C, Xu, D. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
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5VYG
 | | Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide | | Descriptor: | CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Yu, H.J, Li, H.L. | | Deposit date: | 2017-05-25 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
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4XZ7
 | | Crystal structure of a TGase | | Descriptor: | Putative uncharacterized protein | | Authors: | Yu, J, Ge, J, Yang, M. | | Deposit date: | 2015-02-04 | | Release date: | 2015-06-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015
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5BOA
 | | Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2 | | Descriptor: | Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | | Authors: | Zhang, C, Yu, Y, Yang, M, Jiang, Y. | | Deposit date: | 2015-05-27 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.708 Å) | | Cite: | Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
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6MDB
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5 | | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Fodor, M, Stams, T. | | Deposit date: | 2018-09-04 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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6MD7
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