6B7K
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![BU of 6b7k by Molmil](/molmil-images/mine/6b7k) | GH43 Endo-Arabinanase from Bacillus licheniformis | Descriptor: | CALCIUM ION, Endo-alpha-(1->5)-L-arabinanase | Authors: | Farro, E.G.S, Nascimento, A.S. | Deposit date: | 2017-10-04 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis. Int. J. Biol. Macromol., 117, 2018
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6G2S
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![BU of 6g2s by Molmil](/molmil-images/mine/6g2s) | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6G99
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![BU of 6g99 by Molmil](/molmil-images/mine/6g99) | Solution structure of FUS-ZnF bound to UGGUG | Descriptor: | RNA (5'-R(*UP*GP*GP*UP*G)-3'), RNA-binding protein FUS, ZINC ION | Authors: | Loughlin, F.E, Allain, F.H.-T. | Deposit date: | 2018-04-10 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity. Mol. Cell, 73, 2019
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6BED
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![BU of 6bed by Molmil](/molmil-images/mine/6bed) | Crystal structure of VACV D13 in complex with Rifampicin | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, RIFAMPICIN, ... | Authors: | Garriga, D, Accurso, C, Coulibaly, F. | Deposit date: | 2017-10-25 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GC5
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6G2R
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![BU of 6g2r by Molmil](/molmil-images/mine/6g2r) | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6DN7
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6GN1
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![BU of 6gn1 by Molmil](/molmil-images/mine/6gn1) | Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75 | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide | Authors: | Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D. | Deposit date: | 2018-05-29 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew. Chem. Int. Ed. Engl., 57, 2018
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6DAF
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![BU of 6daf by Molmil](/molmil-images/mine/6daf) | 2.4 Angstrom crystal structure of the F141L Ca/CaM:CaV1.2 IQ domain complex | Descriptor: | CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C | Authors: | Wang, K, Van Petegem, F. | Deposit date: | 2018-05-01 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C1X
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![BU of 6c1x by Molmil](/molmil-images/mine/6c1x) | Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M.M, Herschlag, D. | Deposit date: | 2018-01-05 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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6ER3
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![BU of 6er3 by Molmil](/molmil-images/mine/6er3) | Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2017-10-16 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
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6ES7
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6E94
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![BU of 6e94 by Molmil](/molmil-images/mine/6e94) | Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 K1055R in complex with methylated DNA | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*TP*CP*AP*TP*(DCM)P*GP*GP*(DCM)P*GP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*(DCM)P*GP*CP*(DCM)P*GP*AP*TP*GP*AP*GP*TP*GP*C)-3'), ZINC ION, ... | Authors: | Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A. | Deposit date: | 2018-07-31 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38. J. Biol. Chem., 293, 2018
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6E5I
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6BQS
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![BU of 6bqs by Molmil](/molmil-images/mine/6bqs) | HusA haemophore from Porphyromonas gingivalis | Descriptor: | hypothetical protein PG_2227 | Authors: | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | Deposit date: | 2017-11-28 | Release date: | 2018-10-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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6BSB
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6BTA
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![BU of 6bta by Molmil](/molmil-images/mine/6bta) | CypA Mutant - S99T C115S | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Fraser, J.S, Kenner, L.R, Liu, L. | Deposit date: | 2017-12-06 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescue of conformational dynamics in enzyme catalysis by directed evolution. Nat Commun, 9, 2018
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6EGZ
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![BU of 6egz by Molmil](/molmil-images/mine/6egz) | Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | Descriptor: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem., 29, 2018
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6GZN
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6H7B
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![BU of 6h7b by Molmil](/molmil-images/mine/6h7b) | Structure of Leishmania PABP1 (domain J) complexed with a peptide containing the PAM2 motif of eIF4E4. | Descriptor: | HIS-HIS-MET-ASN-PRO-ASN-ALA-THR-GLU-PHE-MET-PRO, Polyadenylate-binding protein | Authors: | Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G. | Deposit date: | 2018-07-31 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs. Nucleic Acids Res., 47, 2019
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6DKF
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6DMS
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![BU of 6dms by Molmil](/molmil-images/mine/6dms) | Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107 | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION | Authors: | Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B. | Deposit date: | 2018-06-05 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29. J. Biol. Chem., 293, 2018
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6DGO
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![BU of 6dgo by Molmil](/molmil-images/mine/6dgo) | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone | Descriptor: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | Authors: | Shang, J, Kojetin, D.J. | Deposit date: | 2018-05-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Quantitative structural assessment of graded receptor agonism. Proc.Natl.Acad.Sci.USA, 116, 2019
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6DAE
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6DL1
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![BU of 6dl1 by Molmil](/molmil-images/mine/6dl1) | Racemic structure of jatrophidin, an orbitide from Jatropha curcas | Descriptor: | jatrophidin | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | Deposit date: | 2018-05-31 | Release date: | 2018-11-14 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.029 Å) | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species. J. Nat. Prod., 81, 2018
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