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3CAL
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Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5
分子名称: Fibronectin, peptide from Fibronectin-binding protein A
著者Bingham, R.J.
登録日2008-02-20
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of fibronectin-binding sites from Staphylococcus aureus FnBPA in complex with fibronectin domains
Proc.Natl.Acad.Sci.Usa, 105, 2008
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
3CAD
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BU of 3cad by Molmil
Crystal structure of Natural Killer Cell Receptor, Ly49G
分子名称: Lectin-related NK cell receptor LY49G1
著者Cho, S.
登録日2008-02-19
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Architecture of the Major Histocompatibility Complex Class I-binding Site of Ly49 Natural Killer Cell Receptors.
J.Biol.Chem., 283, 2008
2JK7
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BU of 2jk7 by Molmil
XIAP BIR3 bound to a Smac Mimetic
分子名称: (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION
著者Saito, N.G, Meagher, J.L, Stuckey, J.A.
登録日2008-08-21
公開日2008-11-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap).
J.Med.Chem., 51, 2008
3CBK
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BU of 3cbk by Molmil
chagasin-cathepsin B
分子名称: Cathepsin B, Chagasin
著者Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S.
登録日2008-02-22
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
2K2F
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BU of 2k2f by Molmil
Solution structure of Ca2+-S100A1-RyRP12
分子名称: CALCIUM ION, Protein S100-A1, Ryanodine receptor 1 peptide
著者Wright, N.T, Varney, K.M, Weber, D.J.
登録日2008-04-01
公開日2008-07-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献S100A1 and Calmodulin Compete for the Same Binding Site on Ryanodine Receptor.
J.Biol.Chem., 283, 2008
2JT0
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BU of 2jt0 by Molmil
Solution structure of F104W cardiac troponin C
分子名称: Troponin C, slow skeletal and cardiac muscles
著者Wang, X, Mercier, P, Letourneau, P.-J, Sykes, B.D.
登録日2007-07-17
公開日2008-05-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Effects of Phe-to-Trp mutation and fluorotryptophan incorporation on the solution structure of cardiac troponin C, and analysis of its suitability as a potential probe for in situ NMR studies.
Protein Sci., 14, 2005
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
3CDS
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BU of 3cds by Molmil
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
分子名称: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2008-12-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
3DGZ
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BU of 3dgz by Molmil
Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 2, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Eckenroth, B.E, Hondal, R.J, Everse, S.J.
登録日2008-06-16
公開日2009-06-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation
To be Published
3DE7
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BU of 3de7 by Molmil
Proteinase K by Classical hanging drop method after the fourth step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-08
公開日2009-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
2Z17
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BU of 2z17 by Molmil
Crystal structure of PDZ domain from human Pleckstrin homology, Sec7
分子名称: Pleckstrin homology Sec7 and coiled-coil domains-binding protein
著者Kishishita, S, Nishino, A, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-08
公開日2008-05-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of PDZ domain from human Pleckstrin homology, Sec7
To be Published
3DNZ
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BU of 3dnz by Molmil
Thermolysin by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-03
公開日2009-07-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
3DE4
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BU of 3de4 by Molmil
Proteinase K by Classical hanging drop method after the first step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-08
公開日2009-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3A60
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BU of 3a60 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form I)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-17
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A7X
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BU of 3a7x by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A86
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BU of 3a86 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A81
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BU of 3a81 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours)
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3DUY
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BU of 3duy by Molmil
Crystal structure of human beta-secretase in complex with NVP-AFJ144
分子名称: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2008-07-18
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3DVS
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BU of 3dvs by Molmil
Proteinase K by LB nanotmplate method after the second step of high dose on ESRF ID14-2 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-20
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
2L40
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BU of 2l40 by Molmil
Mouse prion protein (121-231) containing the substitution Y169A
分子名称: Major prion protein
著者Christen, B, Damberger, F.F, Perez, D.R, Hornemann, S, Wuthrich, K.
登録日2010-09-28
公開日2011-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cellular prion protein conformation and function.
Proc.Natl.Acad.Sci.USA, 108, 2011
3DWD
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BU of 3dwd by Molmil
Crystal structure of the ArfGAP domain of human ARFGAP1
分子名称: ADP-ribosylation factor GTPase-activating protein 1, UNKNOWN ATOM OR ION, ZINC ION
著者Nedyalkova, L, Tong, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-07-22
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the ArfGAP domain of human ARFGAP1
To be Published
3DE3
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BU of 3de3 by Molmil
Proteinase K by Classical hanging drop method before high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-08
公開日2009-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009

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