8YFI
 
 | | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCA-3') | | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3') | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-02-24 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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8YEW
 | | TRIP4 ASCH domain in unliganded form | | Descriptor: | Activating signal cointegrator 1 | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-02-23 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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8YXX
 | | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCG-3') | | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*CP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*G)-3') | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-04-03 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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8YXW
 | | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCC-3') | | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*GP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*C)-3') | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-04-03 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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6M19
 | | Template lasso peptide C24 mutant W14F | | Descriptor: | lasso peptide | | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | Deposit date: | 2020-02-25 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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6NAO
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2018-12-06 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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6OQX
 | | Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator | | Descriptor: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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6OR1
 | | Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator | | Descriptor: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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8IHM
 | | Eaf3 CHD domain bound to the nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHN
 | | Cryo-EM structure of the Rpd3S core complex | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHT
 | | Rpd3S bound to the nucleosome | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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6PLI
 | | Crystal Structure of EcDsbA in a complex with purified oxadiazole 11 | | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-07-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PC9
 | | Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6 | | Descriptor: | 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-17 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
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6PIQ
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) | | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-26 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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1J6T
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6PG2
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) | | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-23 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PBI
 | | Crystal Structure of EcDsbA in a complex with purified morpholine 8 | | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-13 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PG1
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6) | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ... | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-23 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PGJ
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7) | | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ... | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-24 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PDH
 | | Crystal Structure of EcDsbA in a complex with purified pyrazole 9 | | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-19 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PD7
 | | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-18 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6J5W
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Disease resistance RPP13-like protein 4, RKS1 | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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6J6I
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-03-20 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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6J5T
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-03-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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6J5U
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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