PDB: 82203 resultsInfo pagesStatus searchChemie searchBIRD

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5AQJ	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... Authors: Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. Deposit date: 2015-09-22 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.96 Å) Cite: A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
5AQF	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... Authors: Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. Deposit date: 2015-09-22 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.88 Å) Cite: A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
4LFM	Crystal Structure of D-galactose-6-phosphate isomerase in complex with D-psicose Descriptor: D-psicose, Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B Authors: Jung, W.S, Pan, C.H. Deposit date: 2013-06-27 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates. Plos One, 8, 2013
5AQK	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... Authors: Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. Deposit date: 2015-09-22 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.09 Å) Cite: A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
5AQQ	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... Authors: Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. Deposit date: 2015-09-22 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.72 Å) Cite: A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
5AQR	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... Authors: Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. Deposit date: 2015-09-22 Release date: 2016-10-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.91 Å) Cite: A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
4LFK	Crystal Structure of D-galactose-6-phosphate isomerase in a substrate-free form Descriptor: Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B Authors: Jung, W.S, Pan, C.H. Deposit date: 2013-06-27 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates. Plos One, 8, 2013
4LFL	Crystal Structure of D-galactose-6-phosphate isomerase in complex with D-tagatose-6-phosphate Descriptor: 6-O-phosphono-D-tagatose, Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B Authors: Jung, W.S, Pan, C.H. Deposit date: 2013-06-27 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates. Plos One, 8, 2013
4LN5	Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion Descriptor: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ... Authors: Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2013-07-11 Release date: 2013-08-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
4LFN	Crystal Structure of D-galactose-6-phosphate isomerase in complex with D-ribulose Descriptor: D-ribulose, Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B Authors: Jung, W.S, Pan, C.H. Deposit date: 2013-06-27 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates. Plos One, 8, 2013
3RSV	Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide Descriptor: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... Authors: Sickmier, E.A. Deposit date: 2011-05-02 Release date: 2011-08-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
4OST	Crystal structure of the S505C mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
3RTM	Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ... Authors: Sickmier, E.A. Deposit date: 2011-05-03 Release date: 2011-08-31 Method: X-RAY DIFFRACTION (2.76 Å) Cite: From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
4OSK	Crystal structure of TAL effector reveals the recognition between asparagine and guanine Descriptor: DNA (5'-D(*AP*GP*TP*CP*TP*AP*GP*TP*AP*GP*TP*TP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*AP*AP*CP*TP*AP*CP*TP*AP*GP*AP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.398 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
4OT0	Crystal structure of the S505T mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.491 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
3QKQ	Protein Tyrosine Phosphatase 1B - W179F mutant bound with vanadate Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... Authors: Brandao, T.A.S, Johnson, S.J, Hengge, A.C. Deposit date: 2011-02-01 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B. Arch.Biochem.Biophys., 525, 2012
3RTN	Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ... Authors: Sickmier, E.A. Deposit date: 2011-05-03 Release date: 2011-08-31 Method: X-RAY DIFFRACTION (2.7 Å) Cite: From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
3R8X	Crystal Structure of Methionyl-tRNA Formyltransferase from Yersinia pestis complexed with L-methionine Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, METHIONINE, ... Authors: Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-03-24 Release date: 2011-04-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.256 Å) Cite: Crystal Structure of Methionyl-tRNA Formyltransferase from Yersinia pestis complexed with L-methionine To be Published
4OSL	Crystal structure of TAL effector reveals the recognition between histidine and guanine Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*CP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, ... Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.447 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
4OT3	Crystal structure of the S505L mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.944 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
4OSV	Crystal structure of the S505M mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
4OSM	Crystal structure of the S505H mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.454 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
3U41	Crystal structure of Escherichia coli DmsD in space group P212121 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Stevens, C.M, Paetzel, M. Deposit date: 2011-10-06 Release date: 2013-02-06 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite:
4OSI	Crystal structure of the TAL effector dHax3 with NI RVD at 2.8 angstrom resolution Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.849 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014
4OSZ	Crystal structure of the S505P mutant of TAL effector dHax3 Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 Authors: Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. Deposit date: 2014-02-13 Release date: 2014-05-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.614 Å) Cite: Revisiting the TALE repeat Protein Cell, 5, 2014

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