3GYL
 
 | | Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion. | | Descriptor: | CALCIUM ION, GLYCEROL, Prostasin | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2009-04-03 | | Release date: | 2009-04-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
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2QB5
 | | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ... | | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2007-06-15 | | Release date: | 2007-07-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
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3FVF
 | | The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution | | Descriptor: | 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2009-01-15 | | Release date: | 2009-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
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2Q7D
 | | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in complex with AMPPNP and Mn2+ | | Descriptor: | Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2007-06-06 | | Release date: | 2007-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
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4GTC
 | | T. Maritima FDTS (E144R mutant) plus FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GT9
 | | T. Maritima FDTS with FAD, dUMP and Folate. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTD
 | | T. Maritima FDTS (E144R mutant) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTE
 | | T. Maritima FDTS (E144R mutant) with FAD and Folate | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTA
 | | T. Maritima FDTS with FAD, dUMP, and Folinic Acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTF
 | | T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTL
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4GTB
 | | T. Maritima FDTS with FAD, dUMP, and Raltitrexed. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1YC4
 | | Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | | Descriptor: | 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE, Heat shock protein HSP 90-alpha | | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
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1YC3
 | | Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | | Descriptor: | 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha | | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
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1YC1
 | | Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles | | Descriptor: | 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha | | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
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1N5N
 | | Crystal Structure of Peptide Deformylase from Pseudomonas aeruginosa | | Descriptor: | GLYCEROL, Peptide deformylase, ZINC ION | | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | | Deposit date: | 2002-11-06 | | Release date: | 2003-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
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1LM4
 | | Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A | | Descriptor: | FE (III) ION, GLYCEROL, peptide deformylase PDF1 | | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | | Deposit date: | 2002-04-30 | | Release date: | 2003-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
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1LME
 | | Crystal Structure of Peptide Deformylase from Thermotoga maritima | | Descriptor: | peptide deformylase | | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2002-05-01 | | Release date: | 2003-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
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1SBO
 | | Solution Structure of putative anti sigma factor antagonist from Thermotoga maritima (TM1442) | | Descriptor: | Putative anti-sigma factor antagonist TM1442 | | Authors: | Etezady-Esfarjaini, T, Placzek, W.J, Herrmann, T, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2004-02-10 | | Release date: | 2004-12-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the putative anti-sigma-factor antagonist TM1442 from Thermotoga maritima in the free and phosphorylated states.
Magn.Reson.Chem., 44 Spec No, 2006
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1LM6
 | | Crystal Structure of Peptide Deformylase from Streptococcus pneumoniae | | Descriptor: | FE (III) ION, GLYCEROL, peptide deformylase DEFB | | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | | Deposit date: | 2002-04-30 | | Release date: | 2003-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
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1T6R
 | | Solution structure of TM1442, a putative anti sigma factor antagonist in phosphorylated state | | Descriptor: | Putative anti-sigma factor antagonist TM1442 | | Authors: | Etezady-Esfarjani, T, Placzek, W, Herrmann, T, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2004-05-07 | | Release date: | 2005-05-24 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the putative anti-sigma-factor antagonist TM1442 from Thermotoga maritima in the free and phosphorylated states.
Magn.Reson.Chem., 44 Spec No, 2006
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1T3V
 | | The NMR solution structure of TM1816 | | Descriptor: | conserved hypothetical protein | | Authors: | Columbus, L, Peti, W, Herrmann, T, Etazady, T, Klock, H, Lesley, S, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2004-04-27 | | Release date: | 2004-12-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure determination of the conserved hypothetical protein TM1816 from Thermotoga maritima.
Proteins, 60, 2005
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2HXZ
 | | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) | | Descriptor: | Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION | | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | | Deposit date: | 2006-08-04 | | Release date: | 2006-10-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
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2H7J
 | | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | | Deposit date: | 2006-06-02 | | Release date: | 2006-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
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3RSF
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P4-Di(adenosine-5') tetraphosphate | | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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