2JPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jpr by Molmil](/molmil-images/mine/2jpr) | Joint refinement of the HIV-1 CA-NTD in complex with the assembly inhibitor CAP-1 | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, Gag-Pol polyprotein | Authors: | Kelly, B.N, Kyere, S, Kinde, I, Tang, C, Howard, B.R, Robinson, H, Sundquist, W.I, Summers, M.F, Hill, C.P. | Deposit date: | 2007-05-22 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein J.Mol.Biol., 373, 2007
|
|
2JGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jgc by Molmil](/molmil-images/mine/2jgc) | Structure of the human eIF4E homologous protein, 4EHP without ligand bound | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
|
|
2JGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jgb by Molmil](/molmil-images/mine/2jgb) | Structure of human eIF4E homologous protein 4EHP with m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
|
|
2JBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jbp by Molmil](/molmil-images/mine/2jbp) | Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2 | Authors: | Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U. | Deposit date: | 2006-12-09 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Structural basis for a high affinity inhibitor bound to protein kinase MK2. J. Mol. Biol., 369, 2007
|
|
2JBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jbo by Molmil](/molmil-images/mine/2jbo) | Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking) | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION | Authors: | Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U. | Deposit date: | 2006-12-09 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2. J.Mol.Biol., 369, 2007
|
|
2I0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i0h by Molmil](/molmil-images/mine/2i0h) | The structure of p38alpha in complex with an arylpyridazinone | Descriptor: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14 | Authors: | Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J. | Deposit date: | 2006-08-10 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2H7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h7e by Molmil](/molmil-images/mine/2h7e) | |
2H7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h7d by Molmil](/molmil-images/mine/2h7d) | |
2GTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gtn by Molmil](/molmil-images/mine/2gtn) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | Descriptor: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2GTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gtm by Molmil](/molmil-images/mine/2gtm) | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | Descriptor: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2GON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gon by Molmil](/molmil-images/mine/2gon) | Xray Structure of Gag133-278 | Descriptor: | CITRATE ANION, Capsid protein p24 (CA) | Authors: | Kelly, B.N. | Deposit date: | 2006-04-13 | Release date: | 2006-09-26 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278. Biochemistry, 45, 2006
|
|
2GOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gol by Molmil](/molmil-images/mine/2gol) | Xray Structure of Gag278 | Descriptor: | Capsid protein p24 (CA), Matrix protein p17 (MA), SULFATE ION | Authors: | Kelly, B.N. | Deposit date: | 2006-04-13 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278. Biochemistry, 45, 2006
|
|
2GHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ghm by Molmil](/molmil-images/mine/2ghm) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | Descriptor: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | Deposit date: | 2006-03-27 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2GHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ghl by Molmil](/molmil-images/mine/2ghl) | Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 | Descriptor: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A. | Deposit date: | 2006-03-27 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2GFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gfs by Molmil](/molmil-images/mine/2gfs) | P38 Kinase Crystal Structure in complex with RO3201195 | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | Deposit date: | 2006-03-23 | Release date: | 2006-04-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
|
|
2G35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g35 by Molmil](/molmil-images/mine/2g35) | NMR structure of talin-PTB in complex with PIPKI | Descriptor: | Talin-1, peptide | Authors: | Kong, X, Wang, X, Misra, S, Qin, J. | Deposit date: | 2006-02-17 | Release date: | 2006-05-02 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin. J.Mol.Biol., 359, 2006
|
|
2FYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fys by Molmil](/molmil-images/mine/2fys) | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | Descriptor: | Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 | Authors: | Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. | Deposit date: | 2006-02-08 | Release date: | 2006-04-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3 Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2EXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2exc by Molmil](/molmil-images/mine/2exc) | Inhibitor complex of JNK3 | Descriptor: | Mitogen-activated protein kinase 10, N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | Authors: | Xue, Y. | Deposit date: | 2005-11-08 | Release date: | 2006-11-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Inhibitor complex of JNK3 To be Published
|
|
2EWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ewa by Molmil](/molmil-images/mine/2ewa) | Dual binding mode of pyridinylimidazole to MAP kinase p38 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N. | Deposit date: | 2005-11-02 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NMR characterization of kinase p38 dynamics in free and ligand-bound forms. Angew.Chem.Int.Ed.Engl., 45, 2006
|
|
2BAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2baq by Molmil](/molmil-images/mine/2baq) | p38alpha bound to Ro3201195 | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
|
|
2BAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bal by Molmil](/molmil-images/mine/2bal) | p38alpha MAP kinase bound to pyrazoloamine | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
|
|
2BAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bak by Molmil](/molmil-images/mine/2bak) | p38alpha MAP kinase bound to MPAQ | Descriptor: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase Biochemistry, 44, 2005
|
|
2BAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2baj by Molmil](/molmil-images/mine/2baj) | p38alpha bound to pyrazolourea | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14 | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase Biochemistry, 44, 2005
|
|
2B7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b7f by Molmil](/molmil-images/mine/2b7f) | Crystal structure of human T-cell leukemia virus protease, a novel target for anti-cancer design | Descriptor: | (ACE)APQV(STA)VMHP peptide, HTLV protease, PHOSPHATE ION | Authors: | Li, M, Laco, G.S, Jaskolski, M, Rozycki, J, Alexandratos, J, Wlodawer, A, Gustchina, A. | Deposit date: | 2005-10-04 | Release date: | 2005-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human T cell leukemia virus protease, a novel target for anticancer drug design Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1ZZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zzl by Molmil](/molmil-images/mine/1zzl) | Crystal structure of P38 with triazolopyridine | Descriptor: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | McClure, K.F, Han, S. | Deposit date: | 2005-06-14 | Release date: | 2005-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
|
|