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5MOC
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Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Andrei, S, Ottmann, C, Leysen, S.
登録日2016-12-14
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
2W5J
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BU of 2w5j by Molmil
Structure of the c14-rotor ring of the proton translocating chloroplast ATP synthase
分子名称: ATP SYNTHASE C CHAIN, CHLOROPLASTIC
著者Vollmar, M, Schlieper, D, Winn, M, Buechner, C, Groth, G.
登録日2008-12-10
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of the c14 rotor ring of the proton translocating chloroplast ATP synthase.
J. Biol. Chem., 284, 2009
3ZM5
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BU of 3zm5 by Molmil
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
分子名称: 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
著者Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S.
登録日2013-02-05
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
4ML7
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BU of 4ml7 by Molmil
Crystal structure of Brucella abortus PliC in complex with human lysozyme
分子名称: Humanlysozyme, Lysozyme C
著者Ha, N.C, Um, S.H, Kim, J.S.
登録日2013-09-06
公開日2014-07-23
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the Inhibition of Human Lysozyme by PliC from Brucella abortus
Biochemistry, 52, 2013
3ZM6
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CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
分子名称: N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
著者Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S.
登録日2013-02-05
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
8B3X
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BU of 8b3x by Molmil
High resolution crystal structure of dimeric SUDV VP40
分子名称: Matrix protein VP40
著者Werner, A.-D, Norris, M, Saphire, E.O, Becker, S.
登録日2022-09-17
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
5F9E
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BU of 5f9e by Molmil
Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
分子名称: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type
著者Klein, M.
登録日2015-12-09
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
5FAV
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BU of 5fav by Molmil
E491Q mutant of choline TMA-lyase
分子名称: Choline trimethylamine-lyase, MALONATE ION, SODIUM ION
著者Funk, M.A, Drennan, C.L.
登録日2015-12-12
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
5FD2
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BU of 5fd2 by Molmil
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
2ISO
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BU of 2iso by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate
分子名称: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
登録日2006-10-18
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
6YC7
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BU of 6yc7 by Molmil
Structure of adenylylated C. glutamicum GlnK
分子名称: ADENINE ARABINOSE-5'-PHOSPHATE, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Grau, F.C, Muller, Y.A.
登録日2020-03-18
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum.
Acta Crystallogr D Struct Biol, 77, 2021
5UEX
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BU of 5uex by Molmil
BRD4_BD2_A-1497627
分子名称: 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
2W97
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BU of 2w97 by Molmil
Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 4 GAMMA 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, GLYCEROL, ...
著者Brown, C.J, Verma, C.S, Walkinshaw, M.D, Lane, D.P.
登録日2009-01-22
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystallization of eIF4E complexed with eIF4GI peptide and glycerol reveals distinct structural differences around the cap-binding site.
Cell Cycle, 8, 2009
6J0I
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BU of 6j0i by Molmil
Structure of [Co2+-(Chromomycin A3)2]-d(TTGGCGAA)2 complex
分子名称: 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ...
著者Satange, R.B, Chuang, C.Y, Hou, M.H.
登録日2018-12-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Polymorphic G:G mismatches act as hotspots for inducing right-handed Z DNA by DNA intercalation.
Nucleic Acids Res., 47, 2019
6Y1T
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BU of 6y1t by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
分子名称: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Ortmayer, M, Levy, C, Green, A.P.
登録日2020-02-13
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6Y2Y
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The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications
分子名称: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Ortmayer, M, Levy, C, Green, A.P.
登録日2020-02-17
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
5FAY
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BU of 5fay by Molmil
Y208F mutant of choline TMA-lyase
分子名称: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ...
著者Funk, M.A, Drennan, C.L.
登録日2015-12-12
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
5FAW
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BU of 5faw by Molmil
T502A mutant of choline TMA-lyase
分子名称: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ...
著者Funk, M.A, Drennan, C.L.
登録日2015-12-12
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
2ISP
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BU of 2isp by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate
分子名称: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
登録日2006-10-18
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
6TJ0
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BU of 6tj0 by Molmil
Crystal structure of the bacterial cellulose secretion regulator BcsE, residues 217-523, with bound c-di-GMP.
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), Bacterial cellulose synthesis subunit E, GLYCEROL
著者Zouhir, S, Abidi, W, Krasteva, P.V.
登録日2019-11-23
公開日2020-07-29
最終更新日2020-08-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Multitasking of the c-di-GMP-Sensing Cellulose Secretion Regulator BcsE.
Mbio, 11, 2020
1U74
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Electron Transfer Complex between cytochrome C and cytochrome C peroxidase
分子名称: Cytochrome c iso-1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Crane, B.R, Kang, S.A.
登録日2004-08-02
公開日2004-09-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Electron transfer between cytochrome c and cytochome c peroxidase in single crystals.
J.Am.Chem.Soc., 126, 2004
2VXD
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BU of 2vxd by Molmil
The structure of the C-terminal domain of Nucleophosmin
分子名称: NUCLEOPHOSMIN
著者Bycroft, M, Grummitt, C.G.
登録日2008-07-03
公開日2008-07-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Consequences of Nucleophosmin Mutations in Acute Myeloid Leukemia.
J.Biol.Chem., 283, 2008
5U08
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Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ...
著者Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-11-23
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5UG1
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Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct
分子名称: Acyltransferase, SODIUM ION, methanesulfonic acid
著者Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J.
登録日2017-01-06
公開日2017-10-25
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
6STK
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Crystal structure of the CC-chemokine 5 (CCL5) E66S mutation
分子名称: ACETATE ION, C-C motif chemokine 5, GLYCEROL
著者Ramirez-Escudero, M, Janssen, B.J.C.
登録日2019-09-10
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural characterization of anti-CCL5 activity of the tick salivary protein evasin-4.
J.Biol.Chem., 295, 2020

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