2ZFN
 
 | |
2RIM
 | | Crystal structure of Rtt109 | | Descriptor: | Regulator of Ty1 transposition protein 109 | | Authors: | Yuan, Y.A. | | Deposit date: | 2007-10-12 | | Release date: | 2008-09-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into histone h3 lysine 56 acetylation by rtt109
Structure, 16, 2008
|
|
6U82
 | |
6U81
 | | Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2019-09-04 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
|
|
8QTQ
 | | Thermostable WW domain | | Descriptor: | WW domain | | Authors: | Kovermann, M, Thomas, F. | | Deposit date: | 2023-10-13 | | Release date: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Thermostable WW-Domain Scaffold to Design Functional beta-Sheet Miniproteins.
J.Am.Chem.Soc., 2024
|
|
6HKR
 | | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271. | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ... | | Authors: | Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E. | | Deposit date: | 2018-09-07 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
|
|
2P59
 | | Crystal Structure of Hepatitis C Virus NS3.4A protease | | Descriptor: | (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide | | Authors: | Perni, R.B, Wei, Y. | | Deposit date: | 2007-03-14 | | Release date: | 2008-02-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
4W7O
 | |
4WKE
 | | Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10) | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ... | | Authors: | Durbin, J.D. | | Deposit date: | 2014-10-02 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
|
|
4WKI
 | |
4WK7
 | | Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide) | | Descriptor: | 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ... | | Authors: | Durbin, J.D, Stout, S.L. | | Deposit date: | 2014-10-01 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
|
|
4W7N
 | |
4W7L
 | |
4QXS
 | | Crystal structure of human FPPS in complex with WC01088 | | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5IVT
 | | Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium | | Descriptor: | (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Su, H.P. | | Deposit date: | 2016-03-21 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
|
|
7NUW
 | | Crystal structure of the TIR domain of human TLR1 (crystallised with Zn2+ ions) | | Descriptor: | Toll-like receptor 1 | | Authors: | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | | Deposit date: | 2021-03-15 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
|
|
7NUX
 | | Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions) | | Descriptor: | Toll-like receptor 1 | | Authors: | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | | Deposit date: | 2021-03-15 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
|
|
7NT7
 | |
5K13
 | | Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist | | Descriptor: | 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha | | Authors: | Wang, Y, Stout, S.L. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
8F6R
 | | CryoEM structure of designed modular protein oligomer C6-79 | | Descriptor: | De novo designed oligomeric protein C6-79 | | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | | Deposit date: | 2022-11-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Cell, 187, 2024
|
|
8PFL
 | | Crystal structure of WRN helicase domain in complex with 3 | | Descriptor: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | Authors: | Scheufler, C, Meyer, M, Moebitz, H. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
|
|
8PFP
 | |
