3MI7
 
 | | An Enhanced Repressor of Human Papillomavirus E2 Protein | | Descriptor: | 1,2-ETHANEDIOL, Regulatory protein E2 | | Authors: | Bohm, A, Baleja, J, Bose, K, Meinke, G. | | Deposit date: | 2010-04-09 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and characterization of an enhanced repressor of human papillomavirus E2 protein.
Faseb J., 25, 2011
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1NCN
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1NDG
 | | Crystal structure of Fab fragment of antibody HyHEL-8 complexed with its antigen lysozyme | | Descriptor: | ACETIC ACID, Lysozyme C, antibody kappa light chain, ... | | Authors: | Mariuzza, R.A, Li, Y, Li, H, Yang, F, Smith-Gill, S.J. | | Deposit date: | 2002-12-09 | | Release date: | 2003-06-03 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray snapshots of the maturation of an antibody response to a protein antigen
Nat.Struct.Biol., 10, 2003
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6CQ5
 | | TBK1 in Complex with Sulfone Analog of Amlexanox | | Descriptor: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | Authors: | Beyett, T.S, Tesmer, J.J.G. | | Deposit date: | 2018-03-14 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.354 Å) | | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
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4LHB
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4NBN
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4N5D
 | | Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... | | Authors: | Murray, J.M, Steffek, M. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
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6CQ4
 | | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | | Descriptor: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | Authors: | Beyett, T.S, Tesmer, J.J.G. | | Deposit date: | 2018-03-14 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
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3RMZ
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4COO
 | | Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | | Authors: | McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2014-01-29 | | Release date: | 2014-03-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
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6BNY
 | | TBK1 in complex with tetrazole analog of amlexanox | | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | | Authors: | Beyett, T.S, Tesmer, J.J.G. | | Deposit date: | 2017-11-17 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.341 Å) | | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
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2WKT
 | | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316A MUTANT WITH COENZYME A. | | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | | Deposit date: | 2009-06-18 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
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3RV3
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3FSR
 | | Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NADP-dependent alcohol dehydrogenase, ... | | Authors: | Frolow, F, Greenblatt, H, Goihberg, E, Burstein, Y. | | Deposit date: | 2009-01-11 | | Release date: | 2010-01-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
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4R9H
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4EP5
 | | Thermus thermophilus RuvC structure | | Descriptor: | Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, SULFATE ION | | Authors: | Chen, L, Shi, K, Yin, Z.Q, Aihara, H. | | Deposit date: | 2012-04-17 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
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6CQ0
 | | TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | | Descriptor: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | Authors: | Beyett, T.S, Tesmer, J.J.G. | | Deposit date: | 2018-03-14 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
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3FTN
 | | Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Frolow, F, Goihberg, E, Shimon, L, Burstein, Y. | | Deposit date: | 2009-01-13 | | Release date: | 2010-01-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms.
Biochemistry, 49, 2010
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1NH9
 | | Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii | | Descriptor: | DNA-binding protein Alba | | Authors: | Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z. | | Deposit date: | 2002-12-19 | | Release date: | 2003-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii
Protein Sci., 12, 2003
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2CG8
 | | The bifunctional dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase from Streptococcus pneumoniae | | Descriptor: | DIHYDRONEOPTERIN ALDOLASE 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN SYNTHASE | | Authors: | Garcon, A, Levy, C, Derrick, J.P. | | Deposit date: | 2006-02-28 | | Release date: | 2006-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Bifunctional Dihydroneopterin Aldolase/6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Streptococcus Pneumoniae.
J.Mol.Biol., 360, 2006
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4RAH
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1NDM
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3MFC
 | | Computationally designed end0-1,4-beta,xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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3MF6
 | | Computationally designed endo-1,4-beta-xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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3PCX
 | | Caspase-3 E246A, K242A Double Mutant | | Descriptor: | Caspase-3, Inhibitor Ac-DEVD-CMK | | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | | Deposit date: | 2010-10-22 | | Release date: | 2011-02-23 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
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