3HC5
| FXR with SRC1 and GSK826 | Descriptor: | 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2009-05-05 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg.Med.Chem.Lett., 19, 2009
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3DD1
| Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ... | Authors: | Nolte, R.T. | Deposit date: | 2008-06-04 | Release date: | 2009-04-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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3DCU
| FXR with SRC1 and GSK8062 | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2008-06-04 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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3DDS
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3GN1
| Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | Descriptor: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | Deposit date: | 2009-03-16 | Release date: | 2009-12-29 | Last modified: | 2011-09-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009
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3GP3
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3GXM
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3GXD
| Crystal structure of Apo acid-beta-glucosidase pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION | Authors: | Lieberman, R.L. | Deposit date: | 2009-04-02 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability. Biochemistry, 48, 2009
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3H7O
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3H7T
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3ETB
| Crystal structure of the engineered neutralizing antibody M18 complexed with anthrax protective antigen domain 4 | Descriptor: | Anthrax Protective Antigen, Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker | Authors: | Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D. | Deposit date: | 2008-10-07 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of the engineered neutralizing antibody M18 complexed to domain 4 of the anthrax protective antigen. J.Mol.Biol., 387, 2009
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3H8N
| Crystal Structure Analysis of KIR2DS4 | Descriptor: | Killer cell immunoglobulin-like receptor 2DS4 | Authors: | Graef, T, Bushnell, D.A, Parham, P. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C. J.Exp.Med., 206, 2009
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3HA8
| THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | Descriptor: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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3HC6
| FXR with SRC1 and GSK088 | Descriptor: | 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2009-05-05 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg.Med.Chem.Lett., 19, 2009
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3HDI
| Crystal structure of Bacillus halodurans metallo peptidase | Descriptor: | COBALT (II) ION, Processing protease, SULFATE ION, ... | Authors: | Aleshin, A, Gramatikova, S, Strongin, A.Y, Stec, B, Liddington, R.C, Smith, J.W. | Deposit date: | 2009-05-07 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal and solution structures of a prokaryotic M16B peptidase: an open and shut case. Structure, 17, 2009
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3HF2
| Crystal structure of the I401P mutant of cytochrome P450 BM3 | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2009-05-10 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1) Chembiochem, 10, 2009
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3HD8
| Crystal structure of the Triticum aestivum xylanase inhibitor-IIA in complex with bacillus subtilis xylanase | Descriptor: | Endo-1,4-beta-xylanase A, Xylanase inhibitor | Authors: | Sansen, S, Pollet, A, Raedschelders, G, Gebruers, K, Rabijns, A, Courtin, C.M. | Deposit date: | 2009-05-07 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Identification of structural determinants for inhibition strength and specificity of wheat xylanase inhibitors TAXI-IA and TAXI-IIA Febs J., 276, 2009
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3HHE
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3HHN
| Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD | Descriptor: | Class I ligase ribozyme, self-ligation product, MAGNESIUM ION, ... | Authors: | Shechner, D.M, Grant, R.A, Bagby, S.C, Bartel, D.P. | Deposit date: | 2009-05-15 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.987 Å) | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme. Science, 326, 2009
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3HIB
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3HJA
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3MFW
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3M5B
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3MY1
| Structure of CDK9/cyclinT1 in complex with DRB | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ... | Authors: | Baumli, S, Johnson, L.N. | Deposit date: | 2010-05-09 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
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1T9N
| Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-18 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis
by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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