4KYO
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![BU of 4kyo by Molmil](/molmil-images/mine/4kyo) | Alanine-glyoxylate aminotransferase variant K390A in complex with the TPR domain of human Pex5p | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, ... | Authors: | Fodor, K, Lou, Y, Wilmanns, M. | Deposit date: | 2013-05-29 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes. Traffic, 16, 2015
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3PUC
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2BUC
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![BU of 2buc by Molmil](/molmil-images/mine/2buc) | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor | Descriptor: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | Deposit date: | 2005-06-09 | Release date: | 2006-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Bioorg. Med. Chem. Lett., 16, 2006
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1SYL
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![BU of 1syl by Molmil](/molmil-images/mine/1syl) | Crystal structure of inactive mutant dUTPase complexed with substrate dUTP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G. | Deposit date: | 2004-04-01 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase J.Biol.Chem., 279, 2004
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2BS7
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![BU of 2bs7 by Molmil](/molmil-images/mine/2bs7) | Crystal structure of F17b-G in complex with chitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F17BG LECTIN | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2005-05-18 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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2BSB
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![BU of 2bsb by Molmil](/molmil-images/mine/2bsb) | E. coli F17e-G lectin domain complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17G ADHESIN SUBUNIT | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2005-05-20 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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2BS8
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![BU of 2bs8 by Molmil](/molmil-images/mine/2bs8) | Crystal structure of F17b-G in complex with N-acetyl-D-glucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESIN | Authors: | Buts, L, Wellens, A, VanMolle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, DeGreve, H, Bouckaert, J. | Deposit date: | 2005-05-18 | Release date: | 2005-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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2BSG
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![BU of 2bsg by Molmil](/molmil-images/mine/2bsg) | The modeled structure of fibritin (gpwac) of bacteriophage T4 based on cryo-EM reconstruction of the extended tail of bacteriophage T4 | Descriptor: | FIBRITIN | Authors: | Kostyuchenko, V.A, Chipman, P.R, Leiman, P.G, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2005-05-20 | Release date: | 2005-09-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | The Tail Structure of Bacteriophage T4 and its Mechanism of Contraction. Nat.Struct.Mol.Biol., 12, 2005
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2BUA
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![BU of 2bua by Molmil](/molmil-images/mine/2bua) | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (Cd26) in Complex With a Low Molecular Weight Inhibitor. | Descriptor: | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | Deposit date: | 2005-06-09 | Release date: | 2006-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Bioorg. Med. Chem. Lett., 16, 2006
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4I8A
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![BU of 4i8a by Molmil](/molmil-images/mine/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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1JQQ
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![BU of 1jqq by Molmil](/molmil-images/mine/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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6FWN
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![BU of 6fwn by Molmil](/molmil-images/mine/6fwn) | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | Descriptor: | von Willebrand factor | Authors: | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | Deposit date: | 2018-03-06 | Release date: | 2018-10-24 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor. Blood, 133, 2019
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6GGK
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![BU of 6ggk by Molmil](/molmil-images/mine/6ggk) | Crystal structure of CotB2 C-terminal truncation | Descriptor: | CHLORIDE ION, Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION | Authors: | Driller, R, Janke, S, Fuchs, M, Warner, E, Mhashal, A.R, Major, D.T, Christmann, M, Brueck, T, Loll, B. | Deposit date: | 2018-05-03 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis. Nat Commun, 9, 2018
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1HF0
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![BU of 1hf0 by Molmil](/molmil-images/mine/1hf0) | Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer | Descriptor: | DNA 5'-D(*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP* CP*AP*AP*AP*TP*GP*GP*AP*G)-3', DNA 5'-D(*CP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP* TP*CP*AP*AP*AP*TP*GP*TP*G)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M. | Deposit date: | 2000-11-27 | Release date: | 2001-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping Mol.Cell, 8, 2001
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6HPF
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![BU of 6hpf by Molmil](/molmil-images/mine/6hpf) | Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... | Authors: | von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M. | Deposit date: | 2018-09-20 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata. Sci Rep, 9, 2019
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1M4J
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![BU of 1m4j by Molmil](/molmil-images/mine/1m4j) | CRYSTAL STRUCTURE OF THE N-TERMINAL ADF-H DOMAIN OF MOUSE TWINFILIN ISOFORM-1 | Descriptor: | A6 gene product | Authors: | Paavilainen, V.O, Merckel, M.C, Falck, S, Ojala, P.J, Pohl, E, Wilmanns, M, Lappalainen, P. | Deposit date: | 2002-07-03 | Release date: | 2002-11-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Conservation Between the Actin Monomer-binding Sites of Twinfilin and Actin-depolymerizing Factor (ADF)/Cofilin J.Biol.Chem., 277, 2002
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3OY7
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4JPN
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![BU of 4jpn by Molmil](/molmil-images/mine/4jpn) | Bacteriophage phiX174 H protein residues 143-221 | Descriptor: | Minor spike protein H | Authors: | Sun, L, Young, L.N, Boudko, S.B, Fokine, A, Zhang, X, Rossmann, M.G, Fane, B.A. | Deposit date: | 2013-03-19 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Icosahedral bacteriophage Phi X174 forms a tail for DNA transport during infection. Nature, 505, 2014
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1GPD
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![BU of 1gpd by Molmil](/molmil-images/mine/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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3OY2
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4KAO
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![BU of 4kao by Molmil](/molmil-images/mine/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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1FPV
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6YB9
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![BU of 6yb9 by Molmil](/molmil-images/mine/6yb9) | Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. | Deposit date: | 2020-03-16 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target. J.Biol.Chem., 295, 2020
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2WPZ
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![BU of 2wpz by Molmil](/molmil-images/mine/2wpz) | GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4 | Authors: | Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B. | Deposit date: | 2009-08-12 | Release date: | 2009-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core. Proc.Natl.Acad.Sci.USA, 106, 2009
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6AST
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![BU of 6ast by Molmil](/molmil-images/mine/6ast) | NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA Sequence | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium | Authors: | Harika, N.K, Germann, M.W, Wilson, W.D. | Deposit date: | 2017-08-25 | Release date: | 2018-01-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences. Chemistry, 23, 2017
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