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5YZN
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Crystal structure of S9 peptidase (active form) from Deinococcus radiodurans R1
分子名称: Acyl-peptide hydrolase, putative
著者Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D.
登録日2017-12-15
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
4YCO
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E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe
分子名称: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
登録日2015-02-20
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5Z8G
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BU of 5z8g by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Xiao, S, Chen, S, Chen, H.
登録日2018-01-31
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z0Z
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BU of 5z0z by Molmil
Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - D242A mutant
分子名称: Pilus assembly protein
著者Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V.
登録日2017-12-22
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
4YE7
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BU of 4ye7 by Molmil
N-terminal domain of Orf22, a Cydia pomonella granulovirus envelope protein
分子名称: ACETATE ION, ORF22 similar to XcGV ORF19
著者Busby, J.N, Metcalf, P.
登録日2015-02-23
公開日2016-03-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of granulovirus envelope fibres.
To Be Published
4YEE
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BU of 4yee by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YIG
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BU of 4yig by Molmil
vaccinia virus D4/A20(1-50) in complex with dsDNA containing an abasic site and free uracyl
分子名称: DNA (5'-D(*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*(ORP)P*AP*TP*CP*TP*T)-3'), DNA polymerase processivity factor component A20, ...
著者tarbouriech, N, burmeister, W.P, iseni, F.
登録日2015-03-02
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Vaccinia Virus Uracil-DNA Glycosylase in Complex with DNA.
J.Biol.Chem., 290, 2015
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
分子名称: SULFATE ION, ubiquitin
著者Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
登録日2014-11-20
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015
5WKM
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BU of 5wkm by Molmil
2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
5WKQ
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2.10 A resolution structure of IpaB (residues 74-242) from Shigella flexneri
分子名称: Invasin IpaB
著者Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.L, Picking, W.D.
登録日2017-07-25
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Using disruptive insertional mutagenesis to identify the in situ structure-function landscape of the Shigella translocator protein IpaB.
Protein Sci., 27, 2018
4X0S
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BU of 4x0s by Molmil
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
分子名称: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
著者Spencer, R.K, Salveson, P.J, Nowick, J.S.
登録日2014-11-23
公開日2015-05-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
5WA8
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BU of 5wa8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2017-06-26
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5WKT
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BU of 5wkt by Molmil
3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K
分子名称: Rhodopsin, SULFATE ION, Transducin Galpha peptide, ...
著者Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P.
登録日2017-07-25
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
4WVH
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BU of 4wvh by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep1).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep1)
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
5WL1
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BU of 5wl1 by Molmil
Crystal Structure of Human CD1b in Complex with PG
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WCR
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BU of 5wcr by Molmil
Phosphotriesterase variant R0deltaL7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R0, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-07-01
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Phosphotriesterase variant R0deltaL7
To Be Published
5WLG
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BU of 5wlg by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
分子名称: Beta-2-microglobulin, CHLORIDE ION, GAP50 peptide, ...
著者Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
登録日2017-07-26
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
5WEW
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BU of 5wew by Molmil
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY1) bound
分子名称: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), Fosfomycin resistance protein, MANGANESE (II) ION
著者Klontz, E.H, Sundberg, E.J.
登録日2017-07-10
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.178 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
4X33
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BU of 4x33 by Molmil
Structure of the Elongator cofactor complex Kti11/Kti13 at 1.45A
分子名称: 1,2-DIMETHOXYETHANE, CHLORIDE ION, Diphthamide biosynthesis protein 3, ...
著者Kolaj-Robin, O, McEwen, A.G, Cavarelli, J, Seraphin, B.
登録日2014-11-27
公開日2015-01-21
最終更新日2015-03-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the Elongator cofactor complex Kti11/Kti13 provides insight into the role of Kti13 in Elongator-dependent tRNA modification.
Febs J., 282, 2015
5WGK
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BU of 5wgk by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPB
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hdac6 protein, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4X4D
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BU of 4x4d by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 10.3 MGy
分子名称: 35-MER DNA, Regulatory protein
著者Bury, C.S, McGeehan, J.E, Garman, E.F.
登録日2014-12-02
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
5WGW
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BU of 5wgw by Molmil
Crystal Structure of Wild-type MalA', malbrancheamide B complex
分子名称: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WI1
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Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
分子名称: (3E)-3-[(phenylamino)methylidene]oxan-2-one, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-07-18
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
5WPA
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BU of 5wpa by Molmil
Structure of human SFPQ/PSPC1 heterodimer
分子名称: Paraspeckle component 1, Splicing factor, proline- and glutamine-rich
著者Lee, M.
登録日2017-08-04
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
4X2M
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BU of 4x2m by Molmil
Structure of Mtr2
分子名称: Mtr2
著者Aibara, S, Valkov, E, Stewart, M.
登録日2014-11-26
公開日2015-07-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015

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