1S0R
 
 | |
1S82
 | | PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL | | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, CALCIUM ION, ... | | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | | Deposit date: | 2004-01-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
|
|
2W4K
 | | X-ray structure of a DAP-Kinase 2-302 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION | | Authors: | De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M. | | Deposit date: | 2008-11-27 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
|
|
2VTL
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
|
|
2BZM
 | | Solution structure of the primary host recognition region of complement factor H | | Descriptor: | COMPLEMENT FACTOR H | | Authors: | Herbert, A.P, Uhrin, D, Lyon, M, Pangburn, M.K, Barlow, P.N. | | Deposit date: | 2005-08-18 | | Release date: | 2006-03-22 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Disease-Associated Sequence Variations Congregate in a Polyanion Recognition Patch on Human Factor H Revealed in Three-Dimensional Structure.
J.Biol.Chem., 281, 2006
|
|
2W1F
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
|
|
2C4A
 | | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 3 Hours at 291 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2005-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
|
|
2XRW
 | | Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 | | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ... | | Authors: | Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. | | Deposit date: | 2010-09-23 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
|
|
1W6H
 | | Novel plasmepsin II-inhibitor complex | | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
|
|
1H8F
 | | Glycogen Synthase Kinase 3 beta. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Dajani, R, Pearl, L.H, Roe, S.M. | | Deposit date: | 2001-02-05 | | Release date: | 2002-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Glycogen Synthase Kinase 3Beta . Structural Basis for Phosphate-Primed Substrate Specificity and Autoinhibition
Cell(Cambridge,Mass.), 105, 2001
|
|
1W6Z
 | | High Energy Tetragonal Lysozyme X-ray Structure | | Descriptor: | CHLORIDE ION, HOLMIUM (III) ATOM, LYSOZYME C | | Authors: | Jakoncic, J, Aslantas, M, Honkimaki, V, Di Michiel, M, Stojanoff, V. | | Deposit date: | 2004-08-25 | | Release date: | 2004-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography.
J.Appl.Crystallogr., 39, 2006
|
|
2BD9
 | |
1W5V
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
|
|
2BDH
 | | Human Kallikrein 4 complex with zinc and p-aminobenzamidine | | Descriptor: | Kallikrein-4, P-AMINO BENZAMIDINE, ZINC ION | | Authors: | Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-10-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
J.Mol.Biol., 362, 2006
|
|
3GC0
 | |
2W1G
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
|
|
1WAQ
 | |
1GT5
 | | Complexe of Bovine Odorant Binding Protein with benzophenone | | Descriptor: | DIPHENYLMETHANONE, ODORANT-BINDING PROTEIN | | Authors: | Vincent, F, Ramoni, R, Spinelli, S, Grolli, S, Conti, V, Cambillau, C, Tegoni, M. | | Deposit date: | 2002-01-10 | | Release date: | 2003-10-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Eur.J.Biochem., 271, 2004
|
|
1S85
 | | PORCINE TRYPSIN COMPLEXED WITH P-HYDROXYMETHYL BENZAMIDINE AND BORATE | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | | Deposit date: | 2004-01-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
|
|
2VO7
 | | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
|
|
3GCS
 | | Human P38 MAP kinase in complex with Sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-02-22 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
|
|
1GWN
 | | The crystal structure of the core domain of RhoE/Rnd3 - a constitutively activated small G protein | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho-related GTP-binding protein RhoE | | Authors: | Garavini, H, Riento, K, Phelan, J.P, McAlister, M.S.B, Ridley, A.J, Keep, N.H. | | Deposit date: | 2002-03-19 | | Release date: | 2002-04-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Core Domain of Rhoe/Rnd3: A Constitutively Activated Small G Protein
Biochemistry, 41, 2002
|
|
1W4Q
 | | Binding of Nonnatural 3'-Nucleotides to Ribonuclease A | | Descriptor: | 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE, PANCREATIC RIBONUCLEASE A | | Authors: | Jenkins, C.L, Thiyagarajan, N, Sweeney, R.Y, Guy, M.P, Kelemen, B.R, Acharya, K.R, Raines, R.T. | | Deposit date: | 2004-07-27 | | Release date: | 2005-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Binding of Non-Natural 3'-Nucleotides to Ribonuclease A
FEBS J., 272, 2005
|
|
3GCU
 | | Human P38 MAP kinase in complex with RL48 | | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-02-22 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
|
|
1W8P
 | | Structural properties of the B25Tyr-NMe-B26Phe insulin mutant. | | Descriptor: | INSULIN A-CHAIN, INSULIN B-CHAIN, PHENOL, ... | | Authors: | Zakowa, L, Au-Alvarez, O, Dodson, E.J, Dodson, G.G, Brzozowski, A.M. | | Deposit date: | 2004-09-24 | | Release date: | 2005-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Towards the Insulin-Igf-I Intermediate Structures: Functional and Structural Properties of the B25Tyr-Nme-B26Phe Insulin Mutant.
Biochemistry, 43, 2004
|
|
