2ZFN
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2RIM
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![BU of 2rim by Molmil](/molmil-images/mine/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
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6U82
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6U81
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![BU of 6u81 by Molmil](/molmil-images/mine/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
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8QTQ
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![BU of 8qtq by Molmil](/molmil-images/mine/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
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6HKR
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![BU of 6hkr by Molmil](/molmil-images/mine/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
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2P59
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![BU of 2p59 by Molmil](/molmil-images/mine/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
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4W7O
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4WKE
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![BU of 4wke by Molmil](/molmil-images/mine/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
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4WKI
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4WK7
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![BU of 4wk7 by Molmil](/molmil-images/mine/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
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4W7N
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4W7L
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4QXS
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![BU of 4qxs by Molmil](/molmil-images/mine/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
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5IVT
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![BU of 5ivt by Molmil](/molmil-images/mine/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
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7NUW
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![BU of 7nuw by Molmil](/molmil-images/mine/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
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7NUX
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![BU of 7nux by Molmil](/molmil-images/mine/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
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7NT7
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5K13
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![BU of 5k13 by Molmil](/molmil-images/mine/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
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5OEP
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![BU of 5oep by Molmil](/molmil-images/mine/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
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5OEL
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![BU of 5oel by Molmil](/molmil-images/mine/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
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5OEQ
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![BU of 5oeq by Molmil](/molmil-images/mine/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
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8F6R
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![BU of 8f6r by Molmil](/molmil-images/mine/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
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8PFL
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![BU of 8pfl by Molmil](/molmil-images/mine/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
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8PFP
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