3JCZ
 
 | | Structure of bovine glutamate dehydrogenase in the unliganded state | | Descriptor: | 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: | 2016-03-27 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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6HQK
 | | Crystal structure of GcoA F169A bound to guaiacol | | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQR
 | | Crystal structure of GcoA F169H bound to syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3JD3
 | | Glutamate dehydrogenase in complex with NADH and GTP, open 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 (3.6 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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4K2G
 | | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | | Descriptor: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | | Deposit date: | 2013-04-09 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
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6G9C
 | | Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1 | | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | | Deposit date: | 2018-04-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease.
J Immunol Res, 2021, 2021
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3CMU
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5XTB
 | | Cryo-EM structure of human respiratory complex I matrix arm | | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Gu, J, Wu, M, Yang, M. | | Deposit date: | 2017-06-18 | | Release date: | 2017-08-30 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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6G48
 | | Sporosarcina pasteurii urease inhibited by silver | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2018-03-27 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structure of urease inactivated by Ag(i): a new paradigm for enzyme inhibition by heavy metals.
Dalton Trans, 47, 2018
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2WDZ
 | | Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol | | Descriptor: | (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
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4RG4
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3JSX
 | | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Dunstan, M.S, Levy, C, Leys, D. | | Deposit date: | 2009-09-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
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3JTM
 | | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana | | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | | Authors: | Timofeev, V.I, Shabalin, I.G, Serov, A.E, Polyakov, K.M, Popov, V.O, Tishkov, V.I, Kuranova, I.P, Samigina, V.R. | | Deposit date: | 2009-09-13 | | Release date: | 2010-09-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana
to be published
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4R3N
 | | Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-16 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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3JUV
 | | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) | | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-15 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
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4KZO
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4R5H
 | | Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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7PCS
 | | Structure of the heterotetrameric SDR family member BbsCD | | Descriptor: | BbsC, BbsD, GLYCEROL, ... | | Authors: | Essen, L.-O, Heider, J, von Horsten, S. | | Deposit date: | 2021-08-04 | | Release date: | 2022-06-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation.
Febs J., 289, 2022
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6BL1
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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3CSQ
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5XUG
 | | Complex structure(RmMan134A-M5). | | Descriptor: | beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, endo-1,4-beta-mannanase | | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | | Deposit date: | 2017-06-23 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a novel glycoside hydrolase family 134 beta-mannanase.
Biochim Biophys Acta Gen Subj, 1862, 2018
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4KTW
 | | Lactococcus phage 67 RuvC - apo form | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, RuvC endonuclease | | Authors: | Rafferty, J.B, Green, V. | | Deposit date: | 2013-05-21 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Mutants of phage bIL67 RuvC with enhanced Holliday junction binding selectivity and resolution symmetry.
Mol.Microbiol., 89, 2013
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2VXO
 | | Human GMP synthetase in complex with XMP | | Descriptor: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | | Authors: | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | | Deposit date: | 2008-07-08 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
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5X5T
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4QRP
 | | Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR | | Descriptor: | Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ... | | Authors: | Gras, S, Berry, R, Lucet, I.S, Rossjohn, J. | | Deposit date: | 2014-07-02 | | Release date: | 2014-11-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
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