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3CAD
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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
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
3CDA
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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
2KRG
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BU of 2krg by Molmil
Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358)
分子名称: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Bhattacharya, S, Dai, Z, Li, J, Baxter, S, Callaway, D.J.E, Cowburn, D, Bu, Z.
登録日2009-12-17
公開日2009-12-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation.
J.Biol.Chem., 285, 2010
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
3HLA
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HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN A2.1
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1) (ALPHA CHAIN)
著者Saper, M.A, Bjorkman, P.J, Wiley, D.C.
登録日1989-10-06
公開日1990-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Refined structure of the human histocompatibility antigen HLA-A2 at 2.6 A resolution.
J.Mol.Biol., 219, 1991
2K7S
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BU of 2k7s by Molmil
Human ARNT C-Terminal PAS Domain, 3 Residue IB slip
分子名称: Aryl hydrocarbon receptor nuclear translocator
著者Evans, M.R, Card, P.B, Gardner, K.H.
登録日2008-08-20
公開日2009-01-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献ARNT PAS-B has a fragile native state structure with an alternative beta-sheet register nearby in sequence space
Proc.Natl.Acad.Sci.USA, 106, 2009
2KQ6
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The structure of the EF-hand domain of polycystin-2 suggests a mechanism for Ca2+-dependent regulation of polycystin-2 channel activity
分子名称: Polycystin-2
著者Petri, E.T, Celic, A, Kennedy, S.D, Ehrlich, B.E, Boggon, T.J, Hodsdon, M.E.
登録日2009-10-28
公開日2010-05-12
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structure of the EF-hand domain of polycystin-2 suggests a mechanism for Ca2+-dependent regulation of polycystin-2 channel activity.
Proc.Natl.Acad.Sci.USA, 107, 2010
2K8F
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Structural Basis for the Regulation of p53 Function by p300
分子名称: Cellular tumor antigen p53, Histone acetyltransferase p300
著者Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E.
登録日2008-09-08
公開日2009-03-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
2WZW
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BU of 2wzw by Molmil
Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis in complex with NADPH
分子名称: FLAVIN MONONUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NFNB PROTEIN, ...
著者Bellinzoni, M, Manina, G, Riccardi, G, Alzari, P.M.
登録日2009-12-03
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biological and Structural Characterization of the Mycobacterium Smegmatis Nitroreductase Nfnb, and its Role in Benzothiazinone Resistance
Mol.Microbiol., 77, 2010
3CVF
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Crystal Structure of the carboxy terminus of Homer3
分子名称: Homer protein homolog 3
著者Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y.
登録日2008-04-18
公開日2009-03-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
3CVM
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BU of 3cvm by Molmil
High resolution structure of a stable Plasminogen activator inhibitor type-1 in its protease cleaved form
分子名称: Plasminogen activator inhibitor 1
著者Jensen, J.K, Gettins, P.G.W.
登録日2008-04-18
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献High-resolution structure of the stable plasminogen activator inhibitor type-1 variant 14-1B in its proteinase-cleaved form: a new tool for detailed interaction studies and modeling.
Protein Sci., 17, 2008
2KAY
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BU of 2kay by Molmil
Solution structure and dynamics of S100A5 in the Ca2+ -bound states
分子名称: CALCIUM ION, Protein S100-A5
著者Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2)
登録日2008-11-17
公開日2009-06-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
3AAS
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Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate
分子名称: (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ...
著者Iyaguchi, D, Kawano, S, Toyota, E.
登録日2009-11-26
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
2XVL
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crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with Pentaerythritol propoxylate (5 4 PO OH)
分子名称: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, ALPHA-XYLOSIDASE, PUTATIVE, ...
著者Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
登録日2010-10-26
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
2KMX
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Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Copper-transporting ATPase 1
著者Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A.
登録日2009-08-05
公開日2009-12-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A.
J.Biol.Chem., 2009
2KNY
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Fusion construct of CR17 from LRP-1 and ApoE residues 130-149
分子名称: CALCIUM ION, LRP-1, linker, ...
著者Guttman, M, Komives, E.A.
登録日2009-09-08
公開日2010-04-14
最終更新日2020-02-26
実験手法SOLUTION NMR
主引用文献Structure of the minimal interface between ApoE and LRP.
J.Mol.Biol., 398, 2010
3IMJ
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BU of 3imj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
分子名称: (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester, Growth factor receptor-bound protein 2
著者Clements, J.H.
登録日2009-08-10
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3IT5
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Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa
分子名称: Protease lasA, ZINC ION
著者Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J.
登録日2009-08-27
公開日2009-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases.
J.Mol.Biol., 396, 2010
2Y5F
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FACTOR XA - CATION INHIBITOR COMPLEX
分子名称: (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ...
著者Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F.
登録日2011-01-13
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water.
Chemistry, 18, 2012
3LJ6
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3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 at 2.42A RESOLUTION
分子名称: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Kamtekar, S.
登録日2010-01-25
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation
J.Mol.Biol., 400, 2010
2XJW
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Lysozyme-CO releasing molecule adduct
分子名称: CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ...
著者Santos-Silva, T, Mukhopadhyay, A, Romao, M.J.
登録日2010-07-06
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Corm-3 Reactivity Toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl-Lysozyme Complex.
J.Am.Chem.Soc., 133, 2011
3D08
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Human p53 core domain with hot spot mutation R249S and second-site suppressor mutation H168R
分子名称: Cellular tumor antigen p53, ZINC ION
著者Suad, O, Rozenberg, H, Shimon, L.J.W, Frolow, F, Shakked, Z.
登録日2008-05-01
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
3CZR
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Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
分子名称: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-04-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
2XBX
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Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Haap, W.
登録日2010-04-15
公開日2010-08-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010

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