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2W5F	High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose Descriptor: ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... Authors: Najmudin, S, Pinheiro, B.A, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. Deposit date: 2008-12-10 Release date: 2010-01-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose. J.Struct.Biol., 172, 2010
4P1B	CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... Authors: Acheson, J.F, Fox, B.G. Deposit date: 2014-02-25 Release date: 2014-10-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system. Nat Commun, 5, 2014
6B86	2.2A Crystal Structure of Co-CAO1 Descriptor: COBALT (II) ION, Carotenoid oxygenase 1 Authors: Hill, H.E, Kiser, P.D. Deposit date: 2017-10-05 Release date: 2018-07-04 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Preparation and characterization of metal-substituted carotenoid cleavage oxygenases. J. Biol. Inorg. Chem., 23, 2018
7WKP	ICP1 Csy4 Descriptor: 3' stem loop crRNA, Csy4 Authors: Zhang, M, Peng, R. Deposit date: 2022-01-10 Release date: 2023-04-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage. Proc.Natl.Acad.Sci.USA, 120, 2023
5WZQ	Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - quadruple mutant Descriptor: Alpha-N-acetylgalactosaminidase, GLYCEROL, ZINC ION Authors: Sato, M, Arakawa, T, Ashida, H, Fushinobu, S. Deposit date: 2017-01-18 Release date: 2017-06-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors J. Biol. Chem., 292, 2017
4LH1	Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with malonate Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, MALONIC ACID, ... Authors: Pemberton, T.A, Tanner, J.J. Deposit date: 2013-06-30 Release date: 2013-08-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.673 Å) Cite: Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length. Arch.Biochem.Biophys., 538, 2013
3F7J	B.subtilis YvgN Descriptor: NITRATE ION, POTASSIUM ION, YvgN protein Authors: Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D. Deposit date: 2008-11-09 Release date: 2008-11-25 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
7QBR	Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. Deposit date: 2021-11-19 Release date: 2022-11-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.13 Å) Cite: 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
5WW9	Crystal structure of R73E mutant of the second DNA-Binding protein under starvation from Mycobacterium smegmatis Descriptor: CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... Authors: Williams, S.M, Chatterji, D. Deposit date: 2016-12-31 Release date: 2017-08-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis Metallomics, 9, 2017
2VRZ	Structural analysis of homodimeric staphylococcal aureus EsxA Descriptor: VIRULENCE FACTOR ESXA, ZINC ION Authors: Sundaramoorthy, R, Hunter, W.N. Deposit date: 2008-04-17 Release date: 2008-08-26 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of Staphylococcus Aureus Esxa Suggests a Contribution to Virulence by Action as a Transport Chaperone and/or Adaptor Protein. J.Mol.Biol., 383, 2008
7QBQ	Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide Descriptor: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. Deposit date: 2021-11-19 Release date: 2022-11-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.49 Å) Cite: 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
4PLA	Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chimera protein of Phosphatidylinositol 4-kinase type 2-alpha and Lysozyme Authors: Baumlova, A, Chalupska, D, Boura, E. Deposit date: 2014-05-16 Release date: 2014-09-10 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.771 Å) Cite: The crystal structure of the phosphatidylinositol 4-kinase II alpha. Embo Rep., 15, 2014
6J34	Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ... Authors: Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. Deposit date: 2019-01-09 Release date: 2019-09-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase. Acta Crystallogr D Struct Biol, 75, 2019
3F9C	Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by diisopropylfluorophosphate Descriptor: DIISOPROPYL PHOSPHONATE, Platelet-activating factor acetylhydrolase Authors: Samanta, U, Bahnson, B.J. Deposit date: 2008-11-13 Release date: 2009-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes. Biochem Pharmacol, 78, 2009
4PLH	Crystal structure of ancestral apicomplexan malate dehydrogenase with oxamate. Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... Authors: Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. Deposit date: 2014-05-16 Release date: 2014-07-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
7QAN	Cytochrome P450 Enzyme AbyV Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... Authors: Parnell, A.E, Back, C.R, Race, P.R. Deposit date: 2021-11-17 Release date: 2022-11-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.01 Å) Cite: The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
3FAD	Evaulaution at Atomic Resolution of the Role of Strain in Destabilizing the Temperature Sensitive T4 Lysozyme Mutant Arg96-->His Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION Authors: Mooers, B.H.M, Matthews, B.W. Deposit date: 2008-11-17 Release date: 2009-02-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Evaluation at atomic resolution of the role of strain in destabilizing the temperature-sensitive T4 lysozyme mutant Arg 96 --> His. Protein Sci., 18, 2009
6FDJ	Crystal Structure of Two-Domain Laccase mutant H165A from Streptomyces griseoflavus with high copper ions occupancy Descriptor: COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... Authors: Gabdulkhakov, A.G, Tishchenko, T.V. Deposit date: 2017-12-25 Release date: 2019-01-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.308 Å) Cite: Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993. Int J Mol Sci, 20, 2019
6BG3	Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 Descriptor: Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea Authors: Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. Deposit date: 2017-10-27 Release date: 2018-09-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
2VLE	The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase Descriptor: ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL, DAIDZIN Authors: Lowe, E.D, Gao, G.Y, Johnson, L.N, Keung, W.M. Deposit date: 2008-01-13 Release date: 2008-08-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of Daidzin, a Naturally Occurring Anti-Alcohol-Addiction Agent, in Complex with Human Mitochondrial Aldehyde Dehydrogenase. J.Med.Chem., 51, 2008
5WZR	Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - Gal-NHAc-DNJ complex Descriptor: Alpha-N-acetylgalactosaminidase, CALCIUM ION, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, ... Authors: Sato, M, Arakawa, T, Ashida, H, Fushinobu, S. Deposit date: 2017-01-18 Release date: 2017-06-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.79 Å) Cite: The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors J. Biol. Chem., 292, 2017
4PGJ	Human heavy-chain domain antibody in complex with hen egg-white lysozyme Descriptor: Human heavy chain domain antibody, Lysozyme C Authors: Christ, D, Langley, D.B, Rouet, R. Deposit date: 2014-05-02 Release date: 2015-03-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies. J.Biol.Chem., 290, 2015
3JD0	Glutamate dehydrogenase in complex with GTP Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial Authors: Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. Deposit date: 2016-03-28 Release date: 2016-04-27 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.47 Å) Cite: Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016
3JD4	Glutamate dehydrogenase in complex with NADH and GTP, closed conformation Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... Authors: Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. Deposit date: 2016-03-28 Release date: 2016-04-27 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016
3COX	CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE COMPLEXED WITH A STEROID SUBSTRATE. IMPLICATIONS FOR FAD DEPENDENT ALCOHOL OXIDASES Descriptor: CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE Authors: Vrielink, A, Li, J, Brick, P, Blow, D.M. Deposit date: 1993-06-14 Release date: 1993-10-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidases. Biochemistry, 32, 1993

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