2GZV
 
 | | The cystal structure of the PDZ domain of human PICK1 | | Descriptor: | PRKCA-binding protein | | Authors: | Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-12 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2J2I
 | | Crystal Structure of the humab PIM1 in complex with LY333531 | | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | | Deposit date: | 2006-08-16 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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2CJZ
 | | crystal structure of the c472s mutant of human protein tyrosine phosphatase ptpn5 (step, striatum enriched phosphatase) in complex with phosphotyrosine | | Descriptor: | 1,2-ETHANEDIOL, HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5, O-PHOSPHOTYROSINE | | Authors: | Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Savitsky, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S, von Delft, F. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2CFV
 | | Crystal structure of human protein tyrosine phosphatase receptor type J | | Descriptor: | CHLORIDE ION, HUMAN PROTEIN TYROSINE PHOSPHATASE RECEPTOR TYPE J, NICKEL (II) ION | | Authors: | Debreczeni, J.E, Barr, A.J, Eswaran, J, Ugochukwu, E, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2006-02-23 | | Release date: | 2006-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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4TYH
 | | Ternary complex of P38 and MK2 with a P38 inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | Authors: | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors
To Be Published
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1HH3
 | | Decaplanin first P21-Form | | Descriptor: | 4-epi-vancosamine, DECAPLANIN, GLYCEROL, ... | | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | | Deposit date: | 2000-12-19 | | Release date: | 2005-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structures of Four Crystal Forms of Decaplanin
Helv.Chim.Acta, 86, 2003
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1HHC
 | | Crystal structure of Decaplanin - space group P21, second form | | Descriptor: | 4-epi-vancosamine, CITRIC ACID, DECAPLANIN, ... | | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | | Deposit date: | 2000-12-22 | | Release date: | 2005-07-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structures of Four Crystal Forms of Decaplanin
Helv.Chim.Acta, 86, 2003
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3BLQ
 | | Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ... | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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3BLH
 | | Crystal Structure of Human CDK9/cyclinT1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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3BLR
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol | | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ... | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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8G47
 | | KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold | | Descriptor: | AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-08 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G42
 | | KRAS G12C complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-08 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G4H
 | | KRAS G13C complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G4F
 | | KRAS G12V complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G3K
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8G4E
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1HHF
 | | Decaplanin second P6122-Form | | Descriptor: | 4-epi-vancosamine, CHLORIDE ION, DECAPLANIN, ... | | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | | Deposit date: | 2000-12-22 | | Release date: | 2005-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structures of Four Crystal Forms of Decaplanin
Helv.Chim.Acta, 86, 2003
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1HHA
 | | Decaplanin first P6122-Form | | Descriptor: | 4-epi-vancosamine, DECAPLANIN, GLYCEROL, ... | | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | | Deposit date: | 2000-12-22 | | Release date: | 2005-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Four Crystal Forms of Decaplanin
Helv.Chim.Acta, 86, 2003
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1H9H
 | | COMPLEX OF EETI-II WITH PORCINE TRYPSIN | | Descriptor: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II | | Authors: | Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. | | Deposit date: | 2001-03-12 | | Release date: | 2004-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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1H9I
 | | COMPLEX OF EETI-II MUTANT WITH PORCINE TRYPSIN | | Descriptor: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II | | Authors: | Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. | | Deposit date: | 2001-03-12 | | Release date: | 2004-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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4ZZN
 | | Human ERK2 in complex with an inhibitor | | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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5AJW
 | | Human PFKFB3 in complex with an indole inhibitor 2 | | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AJZ
 | | Human PFKFB3 in complex with an indole inhibitor 5 | | Descriptor: | 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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4ZZM
 | | Human ERK2 in complex with an irreversible inhibitor | | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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