1GPD
| STUDIES OF ASYMMETRY IN THE THREE-DIMENSIONAL STRUCTURE OF LOBSTER D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | Authors: | Moras, D, Olsen, K.W, Sabesan, M.N, Buehner, M, Ford, G.C, Rossmann, M.G. | Deposit date: | 1975-07-01 | Release date: | 1977-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Studies of asymmetry in the three-dimensional structure of lobster D-glyceraldehyde-3-phosphate dehydrogenase. J.Biol.Chem., 250, 1975
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2F8V
| Structure of full length telethonin in complex with the N-terminus of titin | Descriptor: | N2B-Titin Isoform, SULFATE ION, Telethonin | Authors: | Pinotsis, N, Petoukhov, M, Lange, S, Svergun, D, Zou, P, Gautel, M, Wilmanns, M. | Deposit date: | 2005-12-04 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Evidence for a dimeric assembly of two titin/telethonin complexes induced by the telethonin C-terminus. J.Struct.Biol., 155, 2006
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1TMX
| Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ... | Authors: | Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F. | Deposit date: | 2004-06-11 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation. J.Biol.Chem., 280, 2005
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2J4S
| P450 BM3 heme domain in complex with DMSO | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2006-09-05 | Release date: | 2007-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc., 129, 2007
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1HZ3
| ALZHEIMER'S DISEASE AMYLOID-BETA PEPTIDE (RESIDUES 10-35) | Descriptor: | A-BETA AMYLOID | Authors: | Zhang, S, Iwata, K, Lachenmann, M.J, Peng, J.W, Li, S, Stimson, E.R, Lu, Y, Felix, A.M, Maggio, J.E, Lee, J.P. | Deposit date: | 2001-01-23 | Release date: | 2001-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The Alzheimer's peptide a beta adopts a collapsed coil structure in water. J.Struct.Biol., 130, 2000
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2LQA
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4KAO
| FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-pyridin-3- yl-phenyl)-urea | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea, Focal adhesion kinase 1, SULFATE ION | Authors: | Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V. | Deposit date: | 2013-04-22 | Release date: | 2013-09-11 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4K9Y
| FOCAL ADHESION KINASE Catalytic domain in complex with 1-[4-(6-Amino-purin-9-yl)-phenyl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-urea | Descriptor: | 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Focal adhesion kinase 1 | Authors: | Musil, D, Graedler, U, Lehmann, M, Heinrich, T, Dresing, V. | Deposit date: | 2013-04-21 | Release date: | 2013-09-11 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4KAB
| FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole | Descriptor: | 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole, Focal adhesion kinase 1 | Authors: | Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V. | Deposit date: | 2013-04-22 | Release date: | 2013-09-11 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5L6L
| Structure of Caulobacter crescentus VapBC1 bound to operator DNA | Descriptor: | DNA (27-MER), Ribonuclease VapC, VapB family protein | Authors: | Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E. | Deposit date: | 2016-05-30 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding. Nucleic Acids Res., 45, 2017
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7OVK
| Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2021-06-15 | Release date: | 2022-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVJ
| Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2021-06-15 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVI
| Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2021-06-15 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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4KVC
| 2H2 Fab fragment of immature Dengue virus | Descriptor: | Ig heavy chain V region MOPC 21, Igh protein, Ig kappa chain V-V region MOPC 21, ... | Authors: | Wang, Z, Rossmann, M.G. | Deposit date: | 2013-05-22 | Release date: | 2013-07-24 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | Obstruction of Dengue Virus Maturation by Fab Fragments of the 2H2 Antibody. J.Virol., 87, 2013
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4KXK
| Alanine-glyoxylate aminotransferase variant K390A/K391A in complex with the TPR domain of human Pex5p | Descriptor: | BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, SULFATE ION, ... | Authors: | Fodor, K, Lou, Y, Wilmanns, M. | Deposit date: | 2013-05-27 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes. Traffic, 16, 2015
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2CN3
| Crystal Structures of Clostridium thermocellum Xyloglucanase | Descriptor: | BETA-1,4-XYLOGLUCAN HYDROLASE, CALCIUM ION, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Martinez-Fleites, C, Taylor, E.J, Guerreiro, C.I.P.D, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Baumann, M.J, Brumer, H, Davies, G.J. | Deposit date: | 2006-05-17 | Release date: | 2006-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation J.Biol.Chem., 281, 2006
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1JQQ
| Crystal structure of Pex13p(301-386) SH3 domain | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PAS20 | Authors: | Douangamath, A, Mayans, O, Barnett, P, Distel, B, Wilmanns, M. | Deposit date: | 2001-08-08 | Release date: | 2002-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain Mol.Cell, 10, 2002
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4I8A
| Alanine-glyoxylate aminotransferase variant S187F | Descriptor: | GLYCEROL, Serine-pyruvate aminotransferase | Authors: | Fodor, K, Oppici, E, Williams, C, Cellini, B, Wilmanns, M. | Deposit date: | 2012-12-03 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the S187F variant of human liver alanine: Aminotransferase associated with primary hyperoxaluria type I and its functional implications. Proteins, 81, 2013
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1I95
| CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH EDEINE | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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2J9Q
| A novel conformation for the TPR domain of pex5p | Descriptor: | PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR, STRONTIUM ION | Authors: | Stanley, W.A, Wilmanns, M, Kursula, P. | Deposit date: | 2006-11-15 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Previously Unobserved Conformation for the Human Pex5P Receptor Suggests Roles for Intrinsic Flexibility and Rigid Domain Motions in Ligand Binding Bmc Struct.Biol., 7, 2007
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3FO8
| Crystal structure of the bacteriophage T4 tail sheath protein, protease resistant fragment gp18PR | Descriptor: | ACETATE ION, Tail sheath protein Gp18 | Authors: | Aksyuk, A.A, Leiman, P.G, Kurochkina, L.P, Shneider, M.M, Kostyuchenko, V.A, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2008-12-29 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The tail sheath structure of bacteriophage T4: a molecular machine for infecting bacteria. Embo J., 28, 2009
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3FOI
| Fitting of gp18M crystal structure into 3D cryo-EM reconstruction of bacteriophage T4 contracted tail | Descriptor: | Tail sheath protein Gp18 | Authors: | Aksyuk, A.A, Leiman, P.G, Kurochkina, L.P, Shneider, M.M, Kostyuchenko, V.A, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2008-12-30 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | The tail sheath structure of bacteriophage T4: a molecular machine for infecting bacteria. Embo J., 28, 2009
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2O31
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1SHW
| EphB2 / EphrinA5 Complex Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | Deposit date: | 2004-02-26 | Release date: | 2004-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling Nat.Neurosci., 7, 2004
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2O9S
| The second SH3 domain from ponsin | Descriptor: | CHLORIDE ION, Ponsin, SODIUM ION, ... | Authors: | Pinotsis, N, Wilmanns, M. | Deposit date: | 2006-12-14 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | Paxillin and ponsin interact in nascent costameres of muscle cells J.Mol.Biol., 369, 2007
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