2OP3
 
 | | The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | | Authors: | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | | Deposit date: | 2007-01-26 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
J.Med.Chem., 50, 2007
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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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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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2IUB
 | | Crystal structure of a divalent metal ion transporter CorA at 2.9 A resolution. | | Descriptor: | CHLORIDE ION, DIVALENT CATION TRANSPORT-RELATED PROTEIN, MAGNESIUM ION | | Authors: | Eshaghi, S, Niegowski, D, Kohl, A, Martinez Molina, D, Lesley, S.A, Nordlund, P. | | Deposit date: | 2006-06-01 | | Release date: | 2006-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of a Divalent Metal Ion Transporter Cora at 2.9 Angstrom Resolution.
Science, 313, 2006
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3E1X
 | | The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution | | Descriptor: | GLYCEROL, Prostasin | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-08-04 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 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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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: | 2021-10-20 | | 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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3E0N
 | | The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor | | Descriptor: | DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ... | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-07-31 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 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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1O29
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and FdUMP at 2.0 A resolution | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O28
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FdUMP at 2.1 A resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TRIETHYLENE GLYCOL, ... | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O2A
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD at 1.8 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O27
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and BrdUMP at 2.3 A resolution | | Descriptor: | 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O25
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with dUMP at 2.4 A resolution | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-20 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O26
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and dUMP at 1.6 A resolution | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O2B
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and PO4 at 2.45 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1O24
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima at 2.0 A resolution | | Descriptor: | Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1R73
 | | Solution Structure of TM1492, the L29 ribosomal protein from Thermotoga maritima | | Descriptor: | 50S ribosomal protein L29 | | Authors: | Peti, W, Etezady-Esfarjani, T, Herrmann, T, Klock, H.E, Lesley, S.A, Wuethrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-10-17 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR for structural proteomics of Thermotoga maritima: Screening and structure determination
J.STRUCT.FUNCT.GENOM., 5, 2004
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1RDU
 | | NMR STRUCTURE OF A PUTATIVE NIFB PROTEIN FROM THERMOTOGA (TM1290), WHICH BELONGS TO THE DUF35 FAMILY | | Descriptor: | conserved hypothetical protein | | Authors: | Etezady-Esfarjani, T, Herrmann, T, Peti, W, Klock, H.E, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-11-06 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structure Determination of the Hypothetical Protein TM1290 from Thermotoga Maritima using Automated NOESY Analysis.
J.Biomol.NMR, 29, 2004
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1S96
 | | The 2.0 A X-ray structure of Guanylate Kinase from E.coli | | Descriptor: | Guanylate kinase, PHOSPHATE ION, UNKNOWN ATOM OR ION | | Authors: | Kreusch, A, Spraggon, G, Klock, H.E, McMullan, D, Vincent, J, Rodrigues, K, Lesley, S.A. | | Deposit date: | 2004-02-03 | | Release date: | 2004-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of Guanylate Kinase from Escherichia coli at 2.0 A resolution
To be Published
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1SJ5
 | | Crystal structure of a duf151 family protein (tm0160) from thermotoga maritima at 2.8 A resolution | | Descriptor: | conserved hypothetical protein TM0160 | | Authors: | Spraggon, G, Panatazatos, D, Klock, H.E, Wilson, I.A, Woods Jr, V.L, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2004-03-02 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | On the use of DXMS to produce more crystallizable proteins: structures of the T. maritima proteins TM0160 and TM1171.
Protein Sci., 13, 2004
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3RTB
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Adenosine-3'-5'-Diphosphate | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, GLYCEROL, POTASSIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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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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3RT7
 | | 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 ADP-glucose | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3RS8
 | | 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 ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, MAGNESIUM ION, ... | | 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 (2.1 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3RTE
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP and ATP. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3RS9
 | | 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,P3-Di(adenosine-5') triphosphate | | Descriptor: | BIS(ADENOSINE)-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 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 (2.103 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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