4A71
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![BU of 4a71 by Molmil](/molmil-images/mine/4a71) | cytochrome c peroxidase in complex with phenol | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PHENOL, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E. | Deposit date: | 2011-11-10 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase. FEBS J., 279, 2012
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6Z7A
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![BU of 6z7a by Molmil](/molmil-images/mine/6z7a) | Variant Surface Glycoprotein VSGsur | Descriptor: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E, Hashemi, H. | Deposit date: | 2020-05-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | A Parasite Coat Protein Binds Suramin to Confer Drug Resistance Nat Microbiol, 6, 2021
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5CPM
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![BU of 5cpm by Molmil](/molmil-images/mine/5cpm) | XenA from Pseudomonas putida in complex with NADPH4. | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Xenobiotic reductase | Authors: | Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S. | Deposit date: | 2015-07-21 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes. J.Am.Chem.Soc., 138, 2016
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5CQ1
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![BU of 5cq1 by Molmil](/molmil-images/mine/5cq1) | Disproportionating enzyme 1 from Arabidopsis - cycloamylose soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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6WTZ
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![BU of 6wtz by Molmil](/molmil-images/mine/6wtz) | Cryo-EM structure of E. Coli OmpF | Descriptor: | Outer membrane porin F | Authors: | Morgan, C.E, Su, C.-C, Lyu, M, Yu, E.W. | Deposit date: | 2020-05-04 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. Nat.Methods, 18, 2021
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4A78
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![BU of 4a78 by Molmil](/molmil-images/mine/4a78) | cytochrome c peroxidase M119W in complex with guiacol | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E. | Deposit date: | 2011-11-11 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase. FEBS J., 279, 2012
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4ZYW
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![BU of 4zyw by Molmil](/molmil-images/mine/4zyw) | Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF94) | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-({5-[3-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Deis, S.M, Dann III, C.E. | Deposit date: | 2015-05-22 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase. Biochemistry, 55, 2016
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4A6Z
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![BU of 4a6z by Molmil](/molmil-images/mine/4a6z) | Cytochrome c peroxidase with bound guaiacol | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Nnamchi, C, Raven, E.L, Moody, P.C.E. | Deposit date: | 2011-11-10 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase. FEBS J., 279, 2012
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4A7M
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![BU of 4a7m by Molmil](/molmil-images/mine/4a7m) | cytochrome c peroxidase S81W mutant | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E. | Deposit date: | 2011-11-14 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase. FEBS J., 279, 2012
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2CJJ
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![BU of 2cjj by Molmil](/molmil-images/mine/2cjj) | Crystal Structure of the MYB domain of the RAD transcription factor from Antirrhinum majus | Descriptor: | RADIALIS | Authors: | Stevenson, C.E.M, Burton, N, Costa, M.M, Nath, U, Dixon, R.A, Coen, E.S, Lawson, D.M. | Deposit date: | 2006-04-04 | Release date: | 2006-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Myb Domain of the Rad Transcription Factor from Antirrhinum Majus. Proteins: Struct., Funct., Bioinf., 65, 2006
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5CSU
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![BU of 5csu by Molmil](/molmil-images/mine/5csu) | Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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2KQA
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![BU of 2kqa by Molmil](/molmil-images/mine/2kqa) | The solution structure of the fungal elicitor Cerato-Platanin | Descriptor: | Cerato-platanin | Authors: | Oliveira, A.L, Gallo, M, Pazzagli, L, Cappugi, G, Scala, A, Cicero, D.O, Pantera, B, Spisni, A, Benedetti, C.E, Pertinhez, T.A. | Deposit date: | 2009-11-03 | Release date: | 2011-03-23 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | The solution structure of the fungal elicitor Cerato-Platanin To be Published
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5DF1
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![BU of 5df1 by Molmil](/molmil-images/mine/5df1) | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid | Descriptor: | (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ... | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2015-08-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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2I0H
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![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
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6W8Q
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![BU of 6w8q by Molmil](/molmil-images/mine/6w8q) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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2EEU
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![BU of 2eeu by Molmil](/molmil-images/mine/2eeu) | Guanine riboswitch U22A, A52U mutant bound to hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | Deposit date: | 2007-02-19 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutational analysis of the purine riboswitch aptamer domain Biochemistry, 46, 2007
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1JYE
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![BU of 1jye by Molmil](/molmil-images/mine/1jye) | Structure of a Dimeric Lac Repressor with C-terminal Deletion and K84L Substitution | Descriptor: | GLYCEROL, Lactose Operon Repressor | Authors: | Bell, C.E, Barry, J, Matthews, K.S, Lewis, M. | Deposit date: | 2001-09-12 | Release date: | 2001-10-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a variant of lac repressor with increased thermostability and decreased affinity for operator. J.Mol.Biol., 313, 2001
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2HNY
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![BU of 2hny by Molmil](/molmil-images/mine/2hny) | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-13 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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2HFO
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![BU of 2hfo by Molmil](/molmil-images/mine/2hfo) | Crystal Structures of the Synechocystis Photoreceptor Slr1694 Reveal Distinct Structural States Related to Signaling | Descriptor: | Activator of photopigment and puc expression, FLAVIN MONONUCLEOTIDE | Authors: | Yuan, H, Anderson, S, Masuda, S, Dragnea, V, Moffat, K, Bauer, C.E. | Deposit date: | 2006-06-24 | Release date: | 2006-12-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the Synechocystis photoreceptor Slr1694 reveal distinct structural states related to signaling. Biochemistry, 45, 2006
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6Y93
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![BU of 6y93 by Molmil](/molmil-images/mine/6y93) | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | Deposit date: | 2020-03-06 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
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5DCU
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![BU of 5dcu by Molmil](/molmil-images/mine/5dcu) | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2015-08-24 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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2BTP
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![BU of 2btp by Molmil](/molmil-images/mine/2btp) | 14-3-3 Protein Theta (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | Authors: | Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-05 | Release date: | 2005-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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6Y7Y
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![BU of 6y7y by Molmil](/molmil-images/mine/6y7y) | Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-02 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6Y8I
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![BU of 6y8i by Molmil](/molmil-images/mine/6y8i) | |