PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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5IHL	STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB Descriptor: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5 Authors: Sheriff, S. Deposit date: 2016-02-29 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope. J.Mol.Biol., 428, 2016
5IEB	Solution structure of SdrG from Sphingomonas melonis Fr1 Descriptor: Sensory transduction regulatory protein Authors: Campagne, S, Vorholt, J.A, Allain, F.H.-T. Deposit date: 2016-02-25 Release date: 2016-07-20 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Role of the PFXFATG[G/Y] Motif in the Activation of SdrG, a Response Regulator Involved in the Alphaproteobacterial General Stress Response. Structure, 24, 2016
5IK1	Open state of P450cam after soaking in camphor Descriptor: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE Authors: Mahomed, M, Goodin, D.B, Lee, Y.-T. Deposit date: 2016-03-03 Release date: 2016-05-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States. J.Am.Chem.Soc., 138, 2016
5INW	Structure of reaction loop cleaved lamprey angiotensinogen Descriptor: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION Authors: Wei, H, Zhou, A. Deposit date: 2016-03-08 Release date: 2016-10-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism J.Biol.Chem., 291, 2016
5IO5	Unliganded form of bovine beta-lactoglobulin, ambient pressure Descriptor: Beta-lactoglobulin, CHLORIDE ION Authors: Kurpiewska, K, Biela, A. Deposit date: 2016-03-08 Release date: 2016-03-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin. Colloids Surf B Biointerfaces, 161, 2017
5GL8	The crystal structure of Nattokinase fragments Descriptor: CALCIUM ION, Subtilisin NAT Authors: Liu, W. Deposit date: 2016-07-10 Release date: 2017-10-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: unpublished To Be Published
5GNL	Cytochrome P450 Vdh (CYP107BR1) F106V mutant Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase Authors: Yasutake, Y, Tamura, T. Deposit date: 2016-07-22 Release date: 2017-05-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site Acta Crystallogr F Struct Biol Commun, 73, 2017
5G3M	Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. Descriptor: 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Sandmark, J, Bodin, C, Hallberg, K. Deposit date: 2016-04-29 Release date: 2016-09-14 Last modified: 2018-04-04 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
5GJI	PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION, ... Authors: Inaba, S, Numoto, N, Morii, H, Ogawa, S, Ikura, T, Abe, R, Ito, N, Oda, M. Deposit date: 2016-06-30 Release date: 2016-12-14 Last modified: 2017-05-10 Method: X-RAY DIFFRACTION (0.9 Å) Cite: Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
5GJH	Gads SH2 domain/CD28-derived peptide complex Descriptor: GRB2-related adapter protein 2, T-cell-specific surface glycoprotein CD28 Authors: Inaba, S, Numoto, N, Morii, H, Ogawa, S, Ikura, T, Abe, R, Ito, N, Oda, M. Deposit date: 2016-06-30 Release date: 2016-12-14 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
5IQQ	Crystal structure of the human RBM7 RRM domain Descriptor: RNA-binding protein 7 Authors: Sofos, N, Winkler, M.B.L, Brodersen, D.E. Deposit date: 2016-03-11 Release date: 2016-05-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.52 Å) Cite: RRM domain of human RBM7: purification, crystallization and structure determination. Acta Crystallogr.,Sect.F, 72, 2016
5IH2	Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ... Authors: Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H. Deposit date: 2016-02-28 Release date: 2016-06-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl. Biophys.J., 110, 2016
5IHI	Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, Spectrin alpha chain, ... Authors: Camara-Artigas, A. Deposit date: 2016-02-29 Release date: 2017-03-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G to be published
5ILM	H64A sperm whale myoglobin with a Fe-chlorophenyl moiety Descriptor: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... Authors: Wang, B, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2016-03-04 Release date: 2016-09-21 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5ILR	H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety Descriptor: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... Authors: Wang, B, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2016-03-04 Release date: 2016-09-21 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5ISJ	Endothiapepsin in complex with chiral chlorinated primary amine fragment Descriptor: (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2016-03-15 Release date: 2017-03-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.651 Å) Cite: Crystallographic Fragment Screening of an Entire Library to be published
5IRQ	Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel Descriptor: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Scott, E.E, Petrunak, E.M. Deposit date: 2016-03-14 Release date: 2017-03-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.202 Å) Cite: Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
5IRY	Crystal structure of human Desmocollin-1 ectodomain Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Brasch, J, Harrison, O.J, Shapiro, L. Deposit date: 2016-03-15 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.095 Å) Cite: Structural basis of adhesive binding by desmocollins and desmogleins. Proc.Natl.Acad.Sci.USA, 113, 2016
5I1R	Quantitative characterization of configurational space sampled by HIV-1 nucleocapsid using solution NMR and X-ray scattering Descriptor: Nucleocapsid protein p7, ZINC ION Authors: Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G.M. Deposit date: 2016-02-05 Release date: 2016-03-30 Last modified: 2024-05-15 Method: SOLUTION NMR, SOLUTION SCATTERING Cite: Quantitative Characterization of Configurational Space Sampled by HIV-1 Nucleocapsid Using Solution NMR, X-ray Scattering and Protein Engineering. Chemphyschem, 17, 2016
5ITH	TIA-1 RRM2 recognition of target oligonucleotide Descriptor: DNA (5'-D(*AP*CP*TP*CP*C*TP*TP*TP*TP*T)-3'), Nucleolysin TIA-1 isoform p40 Authors: Waris, S, Wilce, J.A, Wilce, M.C. Deposit date: 2016-03-16 Release date: 2017-02-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.31 Å) Cite: TIA-1 RRM23 binding and recognition of target oligonucleotides. Nucleic Acids Res., 45, 2017
5IUZ	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
5IVT	Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium Descriptor: (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ... Authors: Su, H.P. Deposit date: 2016-03-21 Release date: 2016-05-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. Acs Med.Chem.Lett., 7, 2016
5IZJ	Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 Descriptor: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ... Authors: Pflug, A, Enkvist, E, Uri, A, Engh, R.A. Deposit date: 2016-03-25 Release date: 2016-07-20 Last modified: 2019-06-19 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
5IU2	Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors Descriptor: Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine Authors: Gutmann, S, Hinniger, A. Deposit date: 2016-03-17 Release date: 2016-08-24 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors. J.Med.Chem., 59, 2016
5J7N	Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high order structure Descriptor: Low molecular weight heat shock protein Authors: Fonseca, E.M.B, Scorsato, V, dos Santos, C.A, Tomazini Jr, A, Aparicio, R, Polikarpov, I. Deposit date: 2016-04-06 Release date: 2017-04-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high-order structure. Acta Crystallogr F Struct Biol Commun, 73, 2017

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