PDB: 7770 resultsInfo pagesStatus searchChemie searchBIRD

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3FXY	Acidic Mammalian Chinase, Catalytic Domain Descriptor: Acidic mammalian chitinase Authors: Olland, A.M. Deposit date: 2009-01-21 Release date: 2009-03-10 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
3FZP	Crystal structure of PYK2 complexed with ATPgS Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION Authors: Han, S. Deposit date: 2009-01-26 Release date: 2009-03-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
3FZT	Crystal structure of PYK2 complexed with PF-4618433 Descriptor: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta Authors: Han, S. Deposit date: 2009-01-26 Release date: 2009-03-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
3G45	Crystal structure of human phosphodiesterase 4b with regulatory domain and d155988 Descriptor: 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ZINC ION, ... Authors: Staker, B.L. Deposit date: 2009-02-03 Release date: 2010-01-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat.Biotechnol., 28, 2010
3FUM	Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol Descriptor: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-14 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3G6U	GR DNA-binding domain:FKBP5 16bp complex-49 Descriptor: DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*CP*CP*CP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*GP*GP*GP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ... Authors: Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. Deposit date: 2009-02-08 Release date: 2009-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
3G8U	DNA binding domain:GilZ 16bp complex-5 Descriptor: DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*GP*GP*GP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*CP*CP*CP*AP*AP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ... Authors: Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. Deposit date: 2009-02-12 Release date: 2009-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
3G93	Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. Deposit date: 2009-02-12 Release date: 2009-05-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
3GAX	Crystal structure of monomeric human cystatin C stabilized against aggregation Descriptor: Cystatin-C Authors: Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M. Deposit date: 2009-02-18 Release date: 2010-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of human cystatin C stabilized against amyloid formation. Febs J., 277, 2010
3G5E	Human aldose reductase complexed with IDD 740 inhibitor Descriptor: 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Podjarny, A.D, Van Zandt, M.C. Deposit date: 2009-02-05 Release date: 2009-03-24 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. Bioorg.Med.Chem.Lett., 19, 2009
3FQW	Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Descriptor: Beta-2-microglobulin, CADMIUM ION, COBALT (II) ION, ... Authors: Petersen, J, Rossjohn, J. Deposit date: 2009-01-07 Release date: 2009-03-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.927 Å) Cite: Phosphorylated self-peptides alter human leukocyte antigen class I-restricted antigen presentation and generate tumor-specific epitopes Proc.Natl.Acad.Sci.Usa, 106, 2009
3FRG	Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor Descriptor: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ... Authors: Somers, D.O, Neu, M. Deposit date: 2009-01-08 Release date: 2010-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration. Bioorg.Med.Chem.Lett., 19, 2009
3FUG	Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid Descriptor: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha Authors: Bourguet, W. Deposit date: 2009-01-14 Release date: 2009-05-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers. J.Med.Chem., 52, 2009
3G5M	Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity Descriptor: 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... Authors: Maiti, A, Sturdy, M, Marler, L, Pegan, S.D, Mesecar, A.D, Pezzuto, J.M, Cushman, M. Deposit date: 2009-02-05 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52, 2009
3G6Q	GR DNA binding domain:FKBP5 binding site complex-9 Descriptor: DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*CP*CP*CP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*GP*GP*GP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ... Authors: Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. Deposit date: 2009-02-08 Release date: 2009-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.26 Å) Cite: DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
3FUE	Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-chloro-1H-indole, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-14 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUP	Crystal structures of JAK1 and JAK2 inhibitor complexes Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2 Authors: Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S. Deposit date: 2009-01-14 Release date: 2009-02-10 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
3FW3	Crystal Structure of soluble domain of CA4 in complex with Dorzolamide Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ... Authors: Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J. Deposit date: 2009-01-16 Release date: 2009-12-01 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation. Bioorg.Med.Chem., 18, 2010
3FZO	Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase Descriptor: Protein tyrosine kinase 2 beta Authors: Han, S. Deposit date: 2009-01-26 Release date: 2009-03-31 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
3FZR	Crystal structure of PYK2 complexed with PF-431396 Descriptor: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta Authors: Han, S. Deposit date: 2009-01-26 Release date: 2009-03-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
3FTW	Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... Authors: Davies, D.R. Deposit date: 2009-01-13 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUD	Leukotriene A4 hydrolase in complex with N-methyl-1-(2-thiophen-2-ylphenyl)methanamine Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... Authors: Davies, D.R. Deposit date: 2009-01-14 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUR	Crystal Structure of PPARg in complex with INT131 Descriptor: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... Authors: Wang, Z, Liu, J, Walker, N. Deposit date: 2009-01-14 Release date: 2009-06-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
3G43	Crystal structure of the calmodulin-bound Cav1.2 C-terminal regulatory domain dimer Descriptor: CALCIUM ION, Calmodulin, Voltage-dependent L-type calcium channel subunit alpha-1C Authors: Fallon, J.L, Quiocho, F.A. Deposit date: 2009-02-03 Release date: 2009-03-03 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of dimeric cardiac L-type calcium channel regulatory domains bridged by Ca2+{middle dot}calmodulins. Proc.Natl.Acad.Sci.USA, 106, 2009
3FXZ	Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172 Descriptor: OCTAHEDRAL RU-PYRIDOCARBAZOLE, Serine/threonine-protein kinase PAK 1 Authors: Maksimoska, J, Marmorstein, R, Meggers, E. Deposit date: 2009-01-21 Release date: 2009-02-17 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc., 130, 2008

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