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3G02
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BU of 3g02 by Molmil
Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution
分子名称: Epoxide hydrolase, FORMIC ACID
著者Naworyta, A, Mowbray, S.L.
登録日2009-01-27
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
6SGS
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BU of 6sgs by Molmil
Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc
分子名称: DARPin, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrB
著者Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F.
登録日2019-08-05
公開日2020-05-13
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
8WOV
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BU of 8wov by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
著者Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
登録日2023-10-07
公開日2024-05-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
5T6L
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BU of 5t6l by Molmil
Crystal structure of 10E8 Fab in complex with the MPER epitope scaffold T117v2
分子名称: 10E8 EPITOPE SCAFFOLD T117V2, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-09-01
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017
1S2X
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BU of 1s2x by Molmil
Crystal structure of Cag-Z from Helicobacter pylori
分子名称: Cag-Z, ISOPROPYL ALCOHOL
著者Cendron, L, Seydel, A, Angelini, A, Battistutta, R, Zanotti, G.
登録日2004-01-12
公開日2004-07-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of CagZ, a protein from the Helicobacter pylori pathogenicity island that encodes for a type IV secretion system
J.Mol.Biol., 340, 2004
1S1N
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BU of 1s1n by Molmil
SH3 domain of human nephrocystin
分子名称: Nephrocystin 1
著者Le Maire, A, Weber, T, Saunier, S, Antignac, C, Ducruix, A, Dardel, F.
登録日2004-01-07
公開日2005-01-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the SH3 domain of human nephrocystin and analysis of a mutation-causing juvenile nephronophthisis.
Proteins, 59, 2005
4EN6
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BU of 4en6 by Molmil
Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S.
登録日2012-04-12
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides
Febs Lett., 586, 2012
6SUA
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BU of 6sua by Molmil
Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98 heavy chain ectodomain
分子名称: 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin, SULFATE ION
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-09-13
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of a surrogate Anticalin protein directed against CD98hc for preclinical studies in mice.
Protein Sci., 29, 2020
5NJ1
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BU of 5nj1 by Molmil
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1
分子名称: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
著者Ferraro, G, Merlino, A.
登録日2017-03-27
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Arsenoplatin-1 Is a Dual Pharmacophore Anticancer Agent.
J.Am.Chem.Soc., 141, 2019
5T35
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BU of 5t35 by Molmil
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ...
著者Gadd, M.S, Zengerle, M, Ciulli, A.
登録日2016-08-24
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
5AFL
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BU of 5afl by Molmil
alpha7-AChBP in complex with lobeline and fragment 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
著者Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
登録日2015-01-22
公開日2015-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
8R88
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BU of 8r88 by Molmil
Structure of P107T BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION
著者Chikunova, A, Ubbink, M.
登録日2023-11-28
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC.
Protein Sci., 33, 2024
5M1T
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BU of 5m1t by Molmil
PaMucR Phosphodiesterase, c-di-GMP complex
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, MucR Phosphodiesterase
著者Hutchin, A, Tews, I, Walsh, M.A.
登録日2016-10-10
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
3S8Y
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BU of 3s8y by Molmil
Bromide soaked structure of an esterase from the oil-degrading bacterium Oleispira antarctica
分子名称: BROMIDE ION, Esterase APC40077
著者Petit, P, Dong, A, Kagan, O, Savchenko, A, Yakunin, A.F.
登録日2011-05-31
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and activity of the cold-active and anion-activated carboxyl esterase OLEI01171 from the oil-degrading marine bacterium Oleispira antarctica.
Biochem.J., 445, 2012
2IGS
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BU of 2igs by Molmil
Crystal Structure of the Protein of Unknown Function from Pseudomonas aeruginosa
分子名称: ACETIC ACID, GLYCEROL, Hypothetical protein, ...
著者Kim, Y, Joachimiak, A, Skarina, T, Egorova, O, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-25
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structure of the Hypothetical Protein from Pseudomonas aeruginosa
To be Published
5M4K
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BU of 5m4k by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5A7N
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BU of 5a7n by Molmil
Crystal structure of human JMJD2A in complex with compound 43
分子名称: 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
登録日2015-07-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5LSK
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BU of 5lsk by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX
分子名称: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
著者Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
登録日2016-09-02
公開日2016-11-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
3OH3
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BU of 3oh3 by Molmil
Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE -Arabinose
分子名称: GLYCEROL, UDP-sugar pyrophosphorylase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate
著者Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R.
登録日2010-08-17
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
5LUX
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BU of 5lux by Molmil
Homeobox transcription factor CDX1 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ...
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-12
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
194L
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BU of 194l by Molmil
THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION
著者Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
登録日1995-09-01
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
6SL7
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BU of 6sl7 by Molmil
The Delta Calcium mutant of ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA
分子名称: Calponin homology domain protein putative
著者Pinotsis, N, Lopez Arolas, A, Djinovic-Carugo, K.
登録日2019-08-18
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
5SY8
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BU of 5sy8 by Molmil
Crystal structure of the complex of 10E8 Fab light chain mutant1 and T117v2 HIV-1 MPER scaffold
分子名称: 10E8 EPITOPE SCAFFOLD T117v2, 10E8 FAB HEAVY CHAIN, 10E8 FAB LIGHT CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-08-10
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017
2IDA
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BU of 2ida by Molmil
Solution NMR Structure of Protein RPA1320 from Rhodopseudomonas Palustris. Northeast Structural Genomics Consortium Target RpT3; Ontario Center for Structural Proteomics Target RP1313.
分子名称: Hypothetical protein, ZINC ION
著者Lemak, A, Yee, A, Lukin, J.A, Karra, M, Gutmanas, A, Guido, V, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-14
公開日2006-10-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of RPA1320
To be Published

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