3LFE
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![BU of 3lfe by Molmil](/molmil-images/mine/3lfe) | Human p38 MAP Kinase in Complex with RL116 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3LFB
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![BU of 3lfb by Molmil](/molmil-images/mine/3lfb) | Human p38 MAP Kinase in Complex with RL98 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3LFA
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![BU of 3lfa by Molmil](/molmil-images/mine/3lfa) | Human p38 MAP Kinase in Complex with Dasatinib | Descriptor: | Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3LFD
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![BU of 3lfd by Molmil](/molmil-images/mine/3lfd) | Human p38 MAP Kinase in Complex with RL113 | Descriptor: | 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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4DLI
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![BU of 4dli by Molmil](/molmil-images/mine/4dli) | Human p38 MAP kinase in complex with RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Gruetter, C, Getlik, M, Simard, J.R, Rauh, D. | Deposit date: | 2012-02-06 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
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3PG3
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![BU of 3pg3 by Molmil](/molmil-images/mine/3pg3) | Human p38 MAP Kinase in Complex with RL182 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha To be Published
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2GMO
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![BU of 2gmo by Molmil](/molmil-images/mine/2gmo) | NMR-structure of an independently folded C-terminal domain of influenza polymerase subunit PB2 | Descriptor: | Polymerase basic protein 2 | Authors: | Boudet, J, Tarendeau, F, Guilligay, D, Mas, P, Bougault, C.M, Cusack, S, Simorre, J.-P, Hart, D.J. | Deposit date: | 2006-04-07 | Release date: | 2007-02-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit. Nat.Struct.Mol.Biol., 14, 2007
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2B1W
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![BU of 2b1w by Molmil](/molmil-images/mine/2b1w) | |
1GH1
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![BU of 1gh1 by Molmil](/molmil-images/mine/1gh1) | NMR STRUCTURES OF WHEAT NONSPECIFIC LIPID TRANSFER PROTEIN | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN | Authors: | Gincel, E, Simorre, J.P, Caille, A, Marion, D, Ptak, M, Vovelle, F. | Deposit date: | 2000-10-29 | Release date: | 2000-11-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure in solution of a wheat lipid-transfer protein from multidimensional 1H-NMR data. A new folding for lipid carriers. Eur.J.Biochem., 226, 1994
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2UWJ
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![BU of 2uwj by Molmil](/molmil-images/mine/2uwj) | Structure of the heterotrimeric complex which regulates type III secretion needle formation | Descriptor: | NICKEL (II) ION, TYPE III EXPORT PROTEIN PSCE, TYPE III EXPORT PROTEIN PSCF, ... | Authors: | Quinaud, M, Ple, S, Job, V, Contreras-Martel, C, Simorre, J.P, Attree, I, Dessen, A. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the heterotrimeric complex that regulates type III secretion needle formation. Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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1K30
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![BU of 1k30 by Molmil](/molmil-images/mine/1k30) | Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase | Descriptor: | glycerol-3-phosphate acyltransferase | Authors: | Turnbull, A.P, Rafferty, J.B, Sedelnikova, S.E, Slabas, A.R, Schierer, T.P, Kroon, J.T, Simon, J.W, Fawcett, T, Nishida, I, Murata, N, Rice, D.W. | Deposit date: | 2001-10-01 | Release date: | 2001-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase. Structure, 9, 2001
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1P6R
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![BU of 1p6r by Molmil](/molmil-images/mine/1p6r) | Solution structure of the DNA binding domain of the repressor BlaI. | Descriptor: | Penicillinase repressor | Authors: | Melckebeke, H.V, Vreuls, C, Gans, P, Llabres, G, Filee, P, Joris, B, Simorre, J.P. | Deposit date: | 2003-04-30 | Release date: | 2003-12-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structural study of BlaI: implications for the repression of genes involved in beta-lactam antibiotic resistance. J.Mol.Biol., 333, 2003
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1RLQ
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![BU of 1rlq by Molmil](/molmil-images/mine/1rlq) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1I5V
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![BU of 1i5v by Molmil](/molmil-images/mine/1i5v) | SOLUTION STRUCTURE OF 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL INTERCALATED IN THE DNA DUPLEX D(CGATCG)2 | Descriptor: | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL, 5'-D(*CP*GP*AP*TP*CP*G)-3' | Authors: | Favier, A, Blackledge, M, Simorre, J.P, Marion, D, Debousy, J.C. | Deposit date: | 2001-03-01 | Release date: | 2001-03-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol intercalated in the DNA duplex d(CGATCG)2. Biochemistry, 40, 2001
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1RLP
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![BU of 1rlp by Molmil](/molmil-images/mine/1rlp) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1PRM
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![BU of 1prm by Molmil](/molmil-images/mine/1prm) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1PRL
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![BU of 1prl by Molmil](/molmil-images/mine/1prl) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1FS8
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![BU of 1fs8 by Molmil](/molmil-images/mine/1fs8) | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-SULFATE COMPLEX | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | Deposit date: | 2000-09-08 | Release date: | 2001-01-17 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs. J.Biol.Chem., 275, 2000
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1FS9
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![BU of 1fs9 by Molmil](/molmil-images/mine/1fs9) | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-AZIDE COMPLEX | Descriptor: | AZIDE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | Deposit date: | 2000-09-08 | Release date: | 2001-01-17 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs. J.Biol.Chem., 275, 2000
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1FS7
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![BU of 1fs7 by Molmil](/molmil-images/mine/1fs7) | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | Deposit date: | 2000-09-08 | Release date: | 2001-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs. J.Biol.Chem., 275, 2000
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1S62
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![BU of 1s62 by Molmil](/molmil-images/mine/1s62) | Solution structure of the Escherichia coli TolA C-terminal domain | Descriptor: | TolA protein | Authors: | Deprez, C, Blanchard, L, Simorre, J.-P, Gavioli, M, Guerlesquin, F, Lazdunski, C, Lloubes, R, Marion, D. | Deposit date: | 2004-01-22 | Release date: | 2005-02-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the E.coli TolA C-terminal domain reveals conformational changes upon binding to the phage g3p N-terminal domain. J.Mol.Biol., 346, 2005
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2M32
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![BU of 2m32 by Molmil](/molmil-images/mine/2m32) | Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide | Descriptor: | GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION | Authors: | Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M. | Deposit date: | 2013-01-07 | Release date: | 2013-11-06 | Last modified: | 2014-02-12 | Method: | SOLUTION NMR | Cite: | The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide. J.Biol.Chem., 288, 2013
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2MHK
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![BU of 2mhk by Molmil](/molmil-images/mine/2mhk) | E. coli LpoA N-terminal domain | Descriptor: | Penicillin-binding protein activator LpoA | Authors: | Jean, N.L, Bougault, C, Lodge, A, Derouaux, A, Callens, G, Egan, A, Lewis, R.J, Vollmer, W, Simorre, J. | Deposit date: | 2013-11-26 | Release date: | 2014-06-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Elongated Structure of the Outer-Membrane Activator of Peptidoglycan Synthesis LpoA: Implications for PBP1A Stimulation. Structure, 22, 2014
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2MII
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![BU of 2mii by Molmil](/molmil-images/mine/2mii) | NMR structure of E. coli LpoB | Descriptor: | Penicillin-binding protein activator LpoB | Authors: | Jean, N.L, Egan, A.J.F, Koumoutsi, A, Bougault, C.M, Typas, A, Vollmer, W, Simorre, J.P. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Outer-membrane lipoprotein LpoB spans the periplasm to stimulate the peptidoglycan synthase PBP1B. Proc.Natl.Acad.Sci.USA, 111, 2014
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2JX0
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![BU of 2jx0 by Molmil](/molmil-images/mine/2jx0) | The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1) | Descriptor: | ARF GTPase-activating protein GIT1 | Authors: | Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J. | Deposit date: | 2007-11-01 | Release date: | 2008-04-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs. J.Biol.Chem., 283, 2008
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