5MVU
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6SWP
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![BU of 6swp by Molmil](/molmil-images/mine/6swp) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046) | Descriptor: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2 | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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7AMN
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![BU of 7amn by Molmil](/molmil-images/mine/7amn) | Structure of LuxR with DNA (repression) | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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5MVP
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![BU of 5mvp by Molmil](/molmil-images/mine/5mvp) | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | Descriptor: | DNA, POTASSIUM ION | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | Deposit date: | 2017-01-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
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5MW5
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![BU of 5mw5 by Molmil](/molmil-images/mine/5mw5) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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7AL1
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![BU of 7al1 by Molmil](/molmil-images/mine/7al1) | Cell division protein SepF from Methanobrevibacter smithii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF | Authors: | Sogues, A, wehenkel, A.M, Alzari, P.M. | Deposit date: | 2020-10-04 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system. Nat Commun, 12, 2021
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7ALG
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![BU of 7alg by Molmil](/molmil-images/mine/7alg) | The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2020-10-06 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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6SU3
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![BU of 6su3 by Molmil](/molmil-images/mine/6su3) | Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, EICOSANE, ... | Authors: | Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V. | Deposit date: | 2019-09-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structural insights into the heliorhodopsin family. Proc.Natl.Acad.Sci.USA, 117, 2020
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5MWJ
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![BU of 5mwj by Molmil](/molmil-images/mine/5mwj) | Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | Descriptor: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | Authors: | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | Deposit date: | 2017-01-18 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1. Chemistry, 23, 2017
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6SZD
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![BU of 6szd by Molmil](/molmil-images/mine/6szd) | Hydrogenase-2 variant R479K - hydrogen reduced form | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | Deposit date: | 2019-10-02 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine. To Be Published
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6SUG
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![BU of 6sug by Molmil](/molmil-images/mine/6sug) | Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue | Descriptor: | 3-deoxytolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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6SQ9
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![BU of 6sq9 by Molmil](/molmil-images/mine/6sq9) | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-hydroxynaphthalene-2-carboxylic acid | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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7ALF
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![BU of 7alf by Molmil](/molmil-images/mine/7alf) | The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2020-10-06 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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6SQN
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6SXV
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![BU of 6sxv by Molmil](/molmil-images/mine/6sxv) | GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ... | Authors: | McGregor, N.G.S, Davies, G.J. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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5MSX
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![BU of 5msx by Molmil](/molmil-images/mine/5msx) | Glycoside hydrolase BT_3662 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-06 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MYF
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![BU of 5myf by Molmil](/molmil-images/mine/5myf) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | dUTPase from DI S. aureus phage | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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5MT3
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![BU of 5mt3 by Molmil](/molmil-images/mine/5mt3) | Human insulin in complex with serotonin and arginine | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2017-01-06 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
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7AEM
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![BU of 7aem by Molmil](/molmil-images/mine/7aem) | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Hargreaves, D. | Deposit date: | 2020-09-17 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation Cancer Res., 79, 2019
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7AKO
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![BU of 7ako by Molmil](/molmil-images/mine/7ako) | Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2020-10-01 | Release date: | 2021-04-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein. Structure, 29, 2021
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5MUI
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![BU of 5mui by Molmil](/molmil-images/mine/5mui) | Glycoside hydrolase BT_0996 | Descriptor: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-13 | Release date: | 2017-03-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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7ARO
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![BU of 7aro by Molmil](/molmil-images/mine/7aro) | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.119 Å) | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor. J.Med.Chem., 64, 2021
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7AGH
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7AG7
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5MVK
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