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6B7K
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GH43 Endo-Arabinanase from Bacillus licheniformis
分子名称: CALCIUM ION, Endo-alpha-(1->5)-L-arabinanase
著者Farro, E.G.S, Nascimento, A.S.
登録日2017-10-04
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis.
Int. J. Biol. Macromol., 117, 2018
6G2S
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BU of 6g2s by Molmil
Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside
分子名称: (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
著者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.
登録日2018-03-23
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
6G99
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Solution structure of FUS-ZnF bound to UGGUG
分子名称: RNA (5'-R(*UP*GP*GP*UP*G)-3'), RNA-binding protein FUS, ZINC ION
著者Loughlin, F.E, Allain, F.H.-T.
登録日2018-04-10
公開日2019-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
6BED
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BU of 6bed by Molmil
Crystal structure of VACV D13 in complex with Rifampicin
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, RIFAMPICIN, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GC5
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Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM
分子名称: AU-rich RNA, ELAV-like protein 1
著者Ripin, N, Allain, F.H.
登録日2018-04-17
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6G2R
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Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside
分子名称: 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, ...
著者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.
登録日2018-03-23
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
6DN7
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SPRY domain-containing SOCS box protein 2 complexed with WDINNN(BAL) Cyclic peptide inhibitor
分子名称: CHLORIDE ION, SPRY domain-containing SOCS box protein 4, WDINNN(BAL) Cyclic peptide inhibitor
著者Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S.
登録日2018-06-06
公開日2019-04-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
ACS Chem. Biol., 13, 2018
6GN1
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Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75
分子名称: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
著者Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D.
登録日2018-05-29
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An Unusual Intramolecular Halogen Bond Guides Conformational Selection.
Angew. Chem. Int. Ed. Engl., 57, 2018
6DAF
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2.4 Angstrom crystal structure of the F141L Ca/CaM:CaV1.2 IQ domain complex
分子名称: CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
著者Wang, K, Van Petegem, F.
登録日2018-05-01
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
6C1X
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BU of 6c1x by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol
分子名称: 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Pinney, M.M, Herschlag, D.
登録日2018-01-05
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
6ER3
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BU of 6er3 by Molmil
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose
分子名称: BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
6ES7
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BU of 6es7 by Molmil
Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins
分子名称: CREB-binding protein, Nuclear receptor coactivator 3
著者Chi, N.C.
登録日2017-10-19
公開日2018-10-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins.
Sci Adv, 4, 2018
6E94
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Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 K1055R in complex with methylated DNA
分子名称: 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, ...
著者Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A.
登録日2018-07-31
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38.
J. Biol. Chem., 293, 2018
6E5I
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BU of 6e5i by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Orn turn
分子名称: Designed peptide NC_HEE_D1: Orn turn mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019
6BQS
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HusA haemophore from Porphyromonas gingivalis
分子名称: hypothetical protein PG_2227
著者Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T.
登録日2017-11-28
公開日2018-10-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis.
Nat Commun, 9, 2018
6BSB
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BU of 6bsb by Molmil
Crystal structure of the Mucin-1 SEA domain, L1105M mutant, Selenium-derivative
分子名称: Mucin-1
著者Noguera, M.E, Jakoncic, J, Ermacora, M.R.
登録日2017-12-01
公開日2018-12-05
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-resolution structure of intramolecularly proteolyzed human mucin-1 SEA domain.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S, Kenner, L.R, Liu, L.
登録日2017-12-06
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
6EGZ
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BU of 6egz by Molmil
Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene
分子名称: Cytochrome c iso-1, HEME C, SODIUM ION, ...
著者Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
6GZN
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BU of 6gzn by Molmil
Adenine-driven structural switch from two- to three-quartet DNA G-quadruplex
分子名称: DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*CP*GP*GP*GP*AP*GP*AP*GP*GP*G)-3')
著者Lenarcic Zivkovic, M, Rozman, J, Plavec, J.
登録日2018-07-04
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Adenine-Driven Structural Switch from a Two- to Three-Quartet DNA G-Quadruplex.
Angew. Chem. Int. Ed. Engl., 57, 2018
6H7B
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Structure of Leishmania PABP1 (domain J) complexed with a peptide containing the PAM2 motif of eIF4E4.
分子名称: HIS-HIS-MET-ASN-PRO-ASN-ALA-THR-GLU-PHE-MET-PRO, Polyadenylate-binding protein
著者Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G.
登録日2018-07-31
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs.
Nucleic Acids Res., 47, 2019
6DKF
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Caseinolytic protease (ClpP) from Staphylococcus aureus mutant - V7A
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ripstein, Z.A, Vahidi, S, Kay, L.E, Rubinstein, J.L.
登録日2018-05-29
公開日2018-06-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reversible inhibition of the ClpP protease via an N-terminal conformational switch.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DMS
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BU of 6dms by Molmil
Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION
著者Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
登録日2018-06-05
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
6DGO
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Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone
分子名称: (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
著者Shang, J, Kojetin, D.J.
登録日2018-05-17
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DAE
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2.0 Angstrom crystal structure of the D95V Ca/CaM:CaV1.2 IQ domain complex
分子名称: CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
著者Wang, K, Lu, J, Van Petegem, F.
登録日2018-05-01
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6DL1
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Racemic structure of jatrophidin, an orbitide from Jatropha curcas
分子名称: jatrophidin
著者Wang, C.K, King, G.J, Ramalho, S.D.
登録日2018-05-31
公開日2018-11-14
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.029 Å)
主引用文献Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018

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