3H9F
 
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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2UX0
 | | Structure of the oligomerisation domain of calcium-calmodulin dependent protein kinase II gamma | | Descriptor: | CALCIUM-CALMODULIN DEPENDENT PROTEIN KINASE (CAM KINASE) II GAMMA, GLYCINE | | Authors: | Bunkoczi, G, Debreczeni, J.E, Salah, E, Gileadi, O, Rellos, P, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Turnbull, A, Pike, A.C.W, Knapp, S. | | Deposit date: | 2007-03-26 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2UVL
 | | Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3) | | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION | | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2007-03-12 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
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2J90
 | | Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6) | | Descriptor: | 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ... | | Authors: | Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2006-10-31 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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1N3B
 | | Crystal Structure of Dephosphocoenzyme A kinase from Escherichia coli | | Descriptor: | Dephospho-CoA kinase, SULFATE ION | | Authors: | O'Toole, N, Barbosa, J.A.R.G, Li, Y, Hung, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2002-10-25 | | Release date: | 2003-01-28 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a Trimeric Form of Dephosphocoenzyme A Kinase from Escherichia coli
Protein Sci., 12, 2003
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2J7T
 | | Crystal structure of human serine threonine kinase-10 bound to SU11274 | | Descriptor: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2006-10-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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2UZC
 | | Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | | Authors: | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | | Deposit date: | 2007-04-27 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
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2W2C
 | | STRUCTURE OF THE TETRADECAMERIC OLIGOMERISATION DOMAIN OF CALCIUM- CALMODULIN DEPENDENT PROTEIN KINASE II DELTA | | Descriptor: | ACETATE ION, CADMIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN | | Authors: | Pike, A.C.W, Rellos, P, Sethi, R, Salah, E, Burgess-Brown, N, Shrestha, L, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2008-10-28 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2J6L
 | | Structure of aminoadipate-semialdehyde dehydrogenase | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1, BROMIDE ION, ... | | Authors: | Bunkoczi, G, Guo, K, Debreczeni, J.E, Smee, C, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | | Deposit date: | 2006-09-29 | | Release date: | 2006-10-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Aldehyde Dehydrogenase 7A1 (Aldh7A1) is a Novel Enzyme Involved in Cellular Defense Against Hyperosmotic Stress.
J.Biol.Chem., 285, 2010
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2J51
 | | Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide | | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE, ... | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, Debreczeni, J.E, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2006-09-08 | | Release date: | 2006-10-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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2WA0
 | | Crystal structure of the human MAGEA4 | | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 4 | | Authors: | Roos, A.K, Cooper, C.D.O, Ugochukwu, E, W Yue, W, Berridge, G, Elkins, J.M, Pike, A.C.W, Bray, J, Filippakopoulos, P, Muniz, J, Chaikuad, A, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Oppermann, U. | | Deposit date: | 2009-01-31 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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2VZ6
 | | Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with Indirubin E804 | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE TYPE II ALPHA CHAIN, S-1,2-PROPANEDIOL | | Authors: | Pike, A.C.W, Rellos, P, King, O, Salah, E, Parizotto, E, Fedorov, O, Shrestha, L, Burgess-Brown, N, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstroem, M, Bountra, C, Knapp, S. | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2WEL
 | | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | | Descriptor: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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2WWU
 | | Crystal structure of the catalytic domain of PHD finger protein 8 | | Descriptor: | ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ... | | Authors: | Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2009-10-29 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
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2JFM
 | | CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM) | | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-02-02 | | Release date: | 2007-02-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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1TLJ
 | | Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus | | Descriptor: | Hypothetical UPF0130 protein SSO0622, SULFATE ION | | Authors: | Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-09 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases.
Rna, 23, 2017
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2WWW
 | | Crystal Structure of Methylmalonic Acidemia Type A Protein | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ... | | Authors: | Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2009-10-30 | | Release date: | 2009-11-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
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1JOG
 | | Structure of HI0074 from Heamophilus Influenzae reveals the fold of a substrate binding domain of a nucleotidyltransferase | | Descriptor: | HYPOTHETICAL PROTEIN HI0074 | | Authors: | Lehmann, C, Lim, K, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-07-29 | | Release date: | 2002-12-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The HI0073/HI0074 protein pair from Haemophilus influenzae is a member of a new nucleotidyltransferase family: Structure, sequence analyses, and
solution studies
Proteins, 50, 2003
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2WH5
 | | Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA | | Descriptor: | ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ... | | Authors: | Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-04-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human Acyl-Coa Binding Domain 4
To be Published
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2JFL
 | | CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (DIPHOSPHORYLATED FORM) BOUND TO 5- AMINO-3-((4-(AMINOSULFONYL)PHENYL)AMINO)-N-(2,6- DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-02-02 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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2R82
 | | Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state | | Descriptor: | Pyruvate, phosphate dikinase, SULFATE ION | | Authors: | Lim, K, Read, R.J, Chen, C.C, Herzberg, O. | | Deposit date: | 2007-09-10 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
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4J0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
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4J0R
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
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2NZ6
 | | Crystal structure of the PTPRJ inactivating mutant C1239S | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Savitsky, P, Pike, A.C.W, Bunkoczi, G, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-22 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2OOQ
 | | Crystal Structure of the Human Receptor Phosphatase PTPRT | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Receptor-type tyrosine-protein phosphatase T, ... | | Authors: | Ugochukwu, E, Alfano, I, Barr, A, Keates, T, Eswaran, J, Salah, E, Savitsky, P, Bunkoczi, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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