8EU3
 
 | | Cryo-EM structure of cGMP bound human CNGA3/CNGB3 channel in GDN, transition state 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | Authors: | Hu, Z, Zheng, X, Yang, J. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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5WS2
 | | Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, complex with RNA | | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*A)-3'), Ribonuclease J, SULFATE ION, ... | | Authors: | Li, D.F, Feng, N. | | Deposit date: | 2016-12-05 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | New molecular insights into an archaeal RNase J reveal a conserved processive exoribonucleolysis mechanism of the RNase J family
Mol. Microbiol., 106, 2017
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5DZM
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8K20
 | | Cryo-EM structure of KEOPS complex from Arabidopsis thaliana | | Descriptor: | At4g34412, At5g53043, FE (III) ION, ... | | Authors: | Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 2024
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5HAA
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5HAB
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3Q0Z
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid | | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Sheriff, S. | | Deposit date: | 2010-12-16 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Bioorg.Med.Chem.Lett., 21, 2011
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7CGM
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGL
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGI
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGF
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGG
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGH
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGK
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGJ
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.546 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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4W5S
 | | Tankyrase in complex with compound | | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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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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4DTK
 | | Novel and selective pan-PIM kinase inhibitor | | Descriptor: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2012-02-21 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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7MSA
 | | GDC-9545 in complex with estrogen receptor alpha | | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-02 | | Last modified: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.
J.Med.Chem., 64, 2021
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8BI2
 | | Syk kinase domain in complex with macrocyclic inhibitor 20a | | Descriptor: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | | Authors: | Read, J.A, Patel, J. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-14 | | Last modified: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
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2X8D
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | Descriptor: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2010-03-08 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X8I
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | | Deposit date: | 2010-03-09 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X8E
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | Descriptor: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2010-03-09 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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