3CAD
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![BU of 3cad by Molmil](/molmil-images/mine/3cad) | Crystal structure of Natural Killer Cell Receptor, Ly49G | Descriptor: | Lectin-related NK cell receptor LY49G1 | Authors: | Cho, S. | Deposit date: | 2008-02-19 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Architecture of the Major Histocompatibility Complex Class I-binding Site of Ly49 Natural Killer Cell Receptors. J.Biol.Chem., 283, 2008
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3CBK
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![BU of 3cbk by Molmil](/molmil-images/mine/3cbk) | chagasin-cathepsin B | Descriptor: | Cathepsin B, Chagasin | Authors: | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | Deposit date: | 2008-02-22 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B. J.Biol.Chem., 283, 2008
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3CDA
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![BU of 3cda by Molmil](/molmil-images/mine/3cda) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (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 | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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2KRG
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![BU of 2krg by Molmil](/molmil-images/mine/2krg) | Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358) | Descriptor: | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Bhattacharya, S, Dai, Z, Li, J, Baxter, S, Callaway, D.J.E, Cowburn, D, Bu, Z. | Deposit date: | 2009-12-17 | Release date: | 2009-12-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation. J.Biol.Chem., 285, 2010
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3CDS
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3HLA
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![BU of 3hla by Molmil](/molmil-images/mine/3hla) | HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN A2.1 | Descriptor: | BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1) (ALPHA CHAIN) | Authors: | Saper, M.A, Bjorkman, P.J, Wiley, D.C. | Deposit date: | 1989-10-06 | Release date: | 1990-04-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Refined structure of the human histocompatibility antigen HLA-A2 at 2.6 A resolution. J.Mol.Biol., 219, 1991
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2K7S
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2KQ6
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![BU of 2kq6 by Molmil](/molmil-images/mine/2kq6) | The structure of the EF-hand domain of polycystin-2 suggests a mechanism for Ca2+-dependent regulation of polycystin-2 channel activity | Descriptor: | Polycystin-2 | Authors: | Petri, E.T, Celic, A, Kennedy, S.D, Ehrlich, B.E, Boggon, T.J, Hodsdon, M.E. | Deposit date: | 2009-10-28 | Release date: | 2010-05-12 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | 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
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2K8F
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![BU of 2k8f by Molmil](/molmil-images/mine/2k8f) | Structural Basis for the Regulation of p53 Function by p300 | Descriptor: | Cellular tumor antigen p53, Histone acetyltransferase p300 | Authors: | Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E. | Deposit date: | 2008-09-08 | Release date: | 2009-03-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation. Structure, 17, 2009
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2WZW
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![BU of 2wzw by Molmil](/molmil-images/mine/2wzw) | Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis in complex with NADPH | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NFNB PROTEIN, ... | Authors: | Bellinzoni, M, Manina, G, Riccardi, G, Alzari, P.M. | Deposit date: | 2009-12-03 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biological and Structural Characterization of the Mycobacterium Smegmatis Nitroreductase Nfnb, and its Role in Benzothiazinone Resistance Mol.Microbiol., 77, 2010
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3CVF
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![BU of 3cvf by Molmil](/molmil-images/mine/3cvf) | Crystal Structure of the carboxy terminus of Homer3 | Descriptor: | Homer protein homolog 3 | Authors: | Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y. | Deposit date: | 2008-04-18 | Release date: | 2009-03-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The postsynaptic density proteins Homer and Shank form a polymeric network structure. Cell(Cambridge,Mass.), 137, 2009
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3CVM
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2KAY
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![BU of 2kay by Molmil](/molmil-images/mine/2kay) | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | Descriptor: | CALCIUM ION, Protein S100-A5 | Authors: | 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) | Deposit date: | 2008-11-17 | Release date: | 2009-06-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states J.Biol.Inorg.Chem., 14, 2009
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3AAS
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![BU of 3aas by Molmil](/molmil-images/mine/3aas) | Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate | Descriptor: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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2XVL
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![BU of 2xvl by Molmil](/molmil-images/mine/2xvl) | crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with Pentaerythritol propoxylate (5 4 PO OH) | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, ALPHA-XYLOSIDASE, PUTATIVE, ... | Authors: | Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H. | Deposit date: | 2010-10-26 | Release date: | 2011-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification. Biochem.J., 436, 2011
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2KMX
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![BU of 2kmx by Molmil](/molmil-images/mine/2kmx) | Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A. | Deposit date: | 2009-08-05 | Release date: | 2009-12-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A. J.Biol.Chem., 2009
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2KNY
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3IMJ
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3IT5
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![BU of 3it5 by Molmil](/molmil-images/mine/3it5) | Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa | Descriptor: | Protease lasA, ZINC ION | Authors: | Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol., 396, 2010
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2Y5F
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![BU of 2y5f by Molmil](/molmil-images/mine/2y5f) | FACTOR XA - CATION INHIBITOR COMPLEX | Descriptor: | (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, ... | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | 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
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3LJ6
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2XJW
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![BU of 2xjw by Molmil](/molmil-images/mine/2xjw) | Lysozyme-CO releasing molecule adduct | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | Authors: | Santos-Silva, T, Mukhopadhyay, A, Romao, M.J. | Deposit date: | 2010-07-06 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Corm-3 Reactivity Toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl-Lysozyme Complex. J.Am.Chem.Soc., 133, 2011
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3D08
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![BU of 3d08 by Molmil](/molmil-images/mine/3d08) | Human p53 core domain with hot spot mutation R249S and second-site suppressor mutation H168R | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Suad, O, Rozenberg, H, Shimon, L.J.W, Frolow, F, Shakked, Z. | Deposit date: | 2008-05-01 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations J.Mol.Biol., 385, 2009
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3CZR
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![BU of 3czr by Molmil](/molmil-images/mine/3czr) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor | Descriptor: | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2008-04-29 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Bioorg.Med.Chem.Lett., 18, 2008
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2XBX
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![BU of 2xbx by Molmil](/molmil-images/mine/2xbx) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (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, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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