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2G6E
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BU of 2g6e by Molmil
Structure of cyclized F64L S65A Y66S GFP variant
分子名称: Green fluorescent protein, MAGNESIUM ION
著者Barondeau, D.P.
登録日2006-02-24
公開日2006-04-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006
2FWP
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BU of 2fwp by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, bound to isocair
分子名称: (4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID, CITRIC ACID, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-02
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
3C6U
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BU of 3c6u by Molmil
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22
分子名称: 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase
著者Yan, Y, Prasad, S.
登録日2008-02-05
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
5HLP
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BU of 5hlp by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
分子名称: 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
3BXN
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BU of 3bxn by Molmil
The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA
分子名称: Cathepsin A signal sequence octapeptide, GLYCEROL, HLA-B*1402 extracellular domain, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
登録日2008-01-14
公開日2009-02-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
2G2S
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BU of 2g2s by Molmil
Structure of S65G Y66S GFP variant after spontaneous peptide hydrolysis
分子名称: Green fluorescent protein, MAGNESIUM ION
著者Barondeau, D.P.
登録日2006-02-16
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006
2GHL
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BU of 2ghl by Molmil
Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
分子名称: 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A.
登録日2006-03-27
公開日2006-04-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
2FWA
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BU of 2fwa by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89N from the acidophilic bacterium Acetobacter aceti, at pH 7
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
3CCW
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BU of 3ccw by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
分子名称: (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
登録日2008-02-26
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
2FBY
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BU of 2fby by Molmil
WRN exonuclease, Eu complex
分子名称: EUROPIUM (III) ION, Werner syndrome helicase
著者Perry, J.J.
登録日2005-12-10
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
2FDQ
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BU of 2fdq by Molmil
crystal structure of ACBP from Armadillo Harderian Gland
分子名称: Acyl-CoA-binding protein
著者Costabel, M.D, Guerin, D.M.A.
登録日2005-12-14
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of armadillo ACBP: a new member of the acyl-CoA-binding protein family.
Acta Crystallogr.,Sect.F, 62, 2006
3CD0
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BU of 3cd0 by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
分子名称: (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
登録日2008-02-26
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CD7
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BU of 3cd7 by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
分子名称: (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
登録日2008-02-26
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CDB
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BU of 3cdb by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
分子名称: (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
登録日2008-02-26
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CDA
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BU of 3cda by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
分子名称: (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
登録日2008-02-26
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3CH5
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BU of 3ch5 by Molmil
The crystal structure of the RanGDP-Nup153ZnF2 complex
分子名称: Fragment of Nuclear pore complex protein Nup153, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vetter, I.R, Schrader, N.
登録日2008-03-07
公開日2008-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex
Structure, 16, 2008
2GDS
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BU of 2gds by Molmil
Interrupting the Hydrogen Bonding Network at the Active Site of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Perry, J.J.
登録日2006-03-16
公開日2006-03-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interrupting the Hydrogen Bond Network at the Active Site of Human Manganese Superoxide Dismutase
J.Biol.Chem., 274, 1999
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
分子名称: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3CJG
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BU of 3cjg by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
2GDA
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BU of 2gda by Molmil
REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN
分子名称: GLUCOCORTICOID RECEPTOR, ZINC ION
著者Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T.
登録日1994-03-15
公開日1994-06-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
3CJB
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BU of 3cjb by Molmil
Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with Gelsolin-segment 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O.
登録日2008-03-12
公開日2008-03-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin.
Proc.Natl.Acad.Sci.USA, 105, 2008
2H12
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Structure of Acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme A (CMX)
分子名称: CARBOXYMETHYLDETHIA COENZYME *A, Citrate synthase, OXALOACETATE ION, ...
著者Starks, C.M, Kappock, T.J.
登録日2006-05-15
公開日2006-09-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a NADH-insensitive hexameric citrate synthase that resists acid inactivation.
Biochemistry, 45, 2006
1BH1
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BU of 1bh1 by Molmil
STRUCTURAL STUDIES OF D-PRO MELITTIN, NMR, 20 STRUCTURES
分子名称: MELITTIN
著者Barnham, K.J, Hewish, D, Werkmeister, J, Curtain, C, Kirkpatrick, A, Bartone, N, Liu, S.T, Norton, R, Rivett, D.
登録日1998-06-11
公開日1999-01-06
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structure and activity of D-Pro14 melittin.
J.Protein Chem., 21, 2002
1BED
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BU of 1bed by Molmil
STRUCTURE OF DISULFIDE OXIDOREDUCTASE
分子名称: DSBA OXIDOREDUCTASE
著者Hu, S.-H, Martin, J.L.
登録日1996-09-16
公開日1997-10-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of TcpG, the DsbA protein folding catalyst from Vibrio cholerae.
J.Mol.Biol., 268, 1997

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