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4E6X
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BU of 4e6x by Molmil
ClbP in complex boron-based inhibitor
分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION
著者Cougnoux, A, Delmas, J, Bonnet, R.
登録日2012-03-16
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria
To be Published
3O4P
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BU of 3o4p by Molmil
DFPase at 0.85 Angstrom resolution (H atoms included)
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Liebschner, D, Elias, M, Koepke, J, Lecomte, C, Guillot, B, Jelsch, C, Chabriere, E.
登録日2010-07-27
公開日2011-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase.
BMC Res Notes, 6, 2013
4CSF
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BU of 4csf by Molmil
Structural insights into Toscana virus RNA encapsidation
分子名称: NUCLEOPROTEIN, RNA (5'-R(*UP*GP*UP*GP*UP*UP*UP*CP*UP)-3')
著者Olal, D, Daumke, O.
登録日2014-03-07
公開日2014-04-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Structural Insights Into RNA Encapsidation and Helical Assembly of the Toscana Virus Nucleoprotein.
Nucleic Acids Res., 42, 2014
6JMV
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BU of 6jmv by Molmil
Crystal structure of the GluK3 ligand binding domain complex with SYM and zinc
分子名称: 2S,4R-4-METHYLGLUTAMATE, ACETATE ION, CHLORIDE ION, ...
著者Kumari, J, Kumar, J.
登録日2019-03-13
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.832 Å)
主引用文献Structural and Functional Insights into GluK3-kainate Receptor Desensitization and Recovery.
Sci Rep, 9, 2019
5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
著者Shah, M.B, Halpert, J.R.
登録日2016-12-24
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
3OIS
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BU of 3ois by Molmil
Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa
分子名称: Cysteine protease, URIDINE-5'-DIPHOSPHATE
著者Leite, N.R, Faro, A.R, Oliva, M.A.V, Thiemann, O.H, Oliva, G.
登録日2010-08-19
公開日2011-08-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism.
Febs Lett., 587, 2013
4ITO
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BU of 4ito by Molmil
Human CA II inhibition by novel sulfonamide
分子名称: 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2013-01-18
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.162 Å)
主引用文献Human CA II inhibition by novel sulfonamide
To be Published
4IRN
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BU of 4irn by Molmil
Crystal Structure of the Prolyl Acyl Carrier Protein Oxidase AnaB
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Prolyl-ACP dehydrogenase
著者Moncoq, K, Mann, S, Regad, L, Mejean, A, Ploux, O.
登録日2013-01-15
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the prolyl-acyl carrier protein oxidase involved in the biosynthesis of the cyanotoxin anatoxin-a.
Acta Crystallogr.,Sect.D, 69, 2013
3MS2
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BU of 3ms2 by Molmil
Glycogen phosphorylase complexed with 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
4IHN
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BU of 4ihn by Molmil
High Resolution Insulin by Langmuir-Blodgett Modified Hanging Drop Vapour Diffusion
分子名称: Insulin A chain, Insulin B chain
著者Belmonte, L, Pechkova, E, Bragazzi, N, Nicolini, C.
登録日2012-12-19
公開日2013-12-25
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献A Review Of The Strategies For Obtaining High Quality Crystals Utilizing Nanotechnologies And Space
To be Published
3MPN
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BU of 3mpn by Molmil
F177R1 mutant of LeuT
分子名称: CHLORIDE ION, LEUCINE, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ...
著者Kroncke, B.M.
登録日2010-04-27
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural origins of nitroxide side chain dynamics on membrane protein alpha-helical sites.
Biochemistry, 49, 2010
3MRX
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BU of 3mrx by Molmil
Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
4II9
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BU of 4ii9 by Molmil
Crystal structure of Weissella viridescens FemXVv non-ribosomal amino acid transferase in complex with a peptidyl-RNA conjugate
分子名称: 5-mer peptide, FemX, GLYCEROL, ...
著者Li de la Sierra-Gallay, I, Fonvielle, M, van Tilbeurgh, H, Arthur, M, Etheve-Quelquejeu, M.
登録日2012-12-20
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The Structure of FemXWv in Complex with a Peptidyl-RNA Conjugate: Mechanism of Aminoacyl Transfer from Ala-tRNA(Ala) to Peptidoglycan Precursors
Angew.Chem.Int.Ed.Engl., 52, 2013
3MPQ
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BU of 3mpq by Molmil
I204R1 mutant of LeuT
分子名称: CHLORIDE ION, LEUCINE, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ...
著者Kroncke, B.M.
登録日2010-04-27
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural origins of nitroxide side chain dynamics on membrane protein alpha-helical sites.
Biochemistry, 49, 2010
3M8B
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BU of 3m8b by Molmil
Crystal structure of spin-labeled BtuB V10R1 in the apo state
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ...
著者Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S.
登録日2010-03-17
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
5UUI
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BU of 5uui by Molmil
Crystal Structure of Spin-Labeled T77C TNFa
分子名称: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor
著者Horanyi, P.S, Dranow, D.M, Ceska, T.
登録日2017-02-16
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance.
Biophys. J., 113, 2017
4JIB
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BU of 4jib by Molmil
Crystal structure of of PDE2-inhibitor complex
分子名称: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Pandit, J.
登録日2013-03-05
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1VHS
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BU of 1vhs by Molmil
Crystal structure of a putative phosphinothricin N-acetyltransferase
分子名称: similar to phosphinothricin acetyltransferase
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
4GTE
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BU of 4gte by Molmil
T. Maritima FDTS (E144R mutant) with FAD and Folate
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3P2N
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BU of 3p2n by Molmil
Discovery and structural characterization of a new glycoside hydrolase family abundant in coastal waters that was annotated as 'hypothetical protein'
分子名称: 3,6-anhydro-alpha-L-galactosidase, CHLORIDE ION, ZINC ION
著者Rebuffet, E, Barbeyron, T, Czjzek, M, Michel, G.
登録日2010-10-03
公開日2011-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and structural characterization of a novel glycosidase family of marine origin.
Environ Microbiol, 13, 2011
4GTF
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BU of 4gtf by Molmil
T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6L7H
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BU of 6l7h by Molmil
crystal structure of GgCGT in complex with UDP and Nothofagin
分子名称: 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, GgCGT1, URIDINE-5'-DIPHOSPHATE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-11-01
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
3O23
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BU of 3o23 by Molmil
Human unphosphorylated IGF1-R Kinase domain in complex with an hydantoin inhibitor
分子名称: (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor
著者Maignan, S, Guilloteau, J.P, Dupuy, A.
登録日2010-07-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: Advantages in comparison with competitive inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
4GSF
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BU of 4gsf by Molmil
The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester
分子名称: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
登録日2012-08-27
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
4GTD
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BU of 4gtd by Molmil
T. Maritima FDTS (E144R mutant) with FAD and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012

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