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3JCZ
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BU of 3jcz by Molmil
Structure of bovine glutamate dehydrogenase in the unliganded state
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者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.
登録日2016-03-27
公開日2016-04-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
6HQK
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BU of 6hqk by Molmil
Crystal structure of GcoA F169A bound to guaiacol
分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HQR
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BU of 6hqr by Molmil
Crystal structure of GcoA F169H bound to syringol
分子名称: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
3JD3
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BU of 3jd3 by Molmil
Glutamate dehydrogenase in complex with NADH and GTP, open conformation
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
著者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.
登録日2016-03-28
公開日2016-04-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
4K2G
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BU of 4k2g by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372
分子名称: (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ
著者Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M.
登録日2013-04-09
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
6G9C
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BU of 6g9c by Molmil
Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1
分子名称: 1,2-ETHANEDIOL, Immunomodulatory active chitinase
著者Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U.
登録日2018-04-10
公開日2019-04-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease.
J Immunol Res, 2021, 2021
3CMU
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BU of 3cmu by Molmil
Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DT)-3'), MAGNESIUM ION, ...
著者Pavletich, N.P.
登録日2008-03-24
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
5XTB
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BU of 5xtb by Molmil
Cryo-EM structure of human respiratory complex I matrix arm
分子名称: Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gu, J, Wu, M, Yang, M.
登録日2017-06-18
公開日2017-08-30
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
6G48
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BU of 6g48 by Molmil
Sporosarcina pasteurii urease inhibited by silver
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Ciurli, S.
登録日2018-03-27
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The structure of urease inactivated by Ag(i): a new paradigm for enzyme inhibition by heavy metals.
Dalton Trans, 47, 2018
2WDZ
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BU of 2wdz by Molmil
Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol
分子名称: (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
登録日2009-03-27
公開日2010-03-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
4RG4
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BU of 4rg4 by Molmil
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation
分子名称: Caprolactone, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yachnin, B.J, Berghuis, A.M.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Acs Chem.Biol., 9, 2014
3JSX
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BU of 3jsx by Molmil
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
分子名称: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Dunstan, M.S, Levy, C, Leys, D.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
3JTM
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BU of 3jtm by Molmil
Structure of recombinant formate dehydrogenase from Arabidopsis thaliana
分子名称: AZIDE ION, Formate dehydrogenase, mitochondrial, ...
著者Timofeev, V.I, Shabalin, I.G, Serov, A.E, Polyakov, K.M, Popov, V.O, Tishkov, V.I, Kuranova, I.P, Samigina, V.R.
登録日2009-09-13
公開日2010-09-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of recombinant formate dehydrogenase from Arabidopsis thaliana
to be published
4R3N
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BU of 4r3n by Molmil
Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-16
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-09-15
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4R5H
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BU of 4r5h by Molmil
Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid
分子名称: 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
登録日2014-08-21
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
7PCS
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BU of 7pcs by Molmil
Structure of the heterotetrameric SDR family member BbsCD
分子名称: BbsC, BbsD, GLYCEROL, ...
著者Essen, L.-O, Heider, J, von Horsten, S.
登録日2021-08-04
公開日2022-06-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation.
Febs J., 289, 2022
6BL1
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BU of 6bl1 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
分子名称: (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, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
3CSQ
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BU of 3csq by Molmil
Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail
分子名称: Morphogenesis protein 1, ZINC ION
著者Xiang, Y, Rossmann, M.G.
登録日2008-04-10
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5XUG
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BU of 5xug by Molmil
Complex structure(RmMan134A-M5).
分子名称: 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
著者Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
登録日2017-06-23
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献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
4KTW
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BU of 4ktw by Molmil
Lactococcus phage 67 RuvC - apo form
分子名称: 1,2-ETHANEDIOL, GLYCEROL, RuvC endonuclease
著者Rafferty, J.B, Green, V.
登録日2013-05-21
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Mutants of phage bIL67 RuvC with enhanced Holliday junction binding selectivity and resolution symmetry.
Mol.Microbiol., 89, 2013
2VXO
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BU of 2vxo by Molmil
Human GMP synthetase in complex with XMP
分子名称: GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE
著者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.
登録日2008-07-08
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
5X5T
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BU of 5x5t by Molmil
Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (KGSADH) from Azospirillum brasilense
分子名称: Alpha-ketoglutaric semialdehyde dehydrogenase, GLYCEROL
著者Son, H.-F, Kim, K.-J.
登録日2017-02-17
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.
Sci Rep, 7, 2017
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
分子名称: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ...
著者Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
登録日2014-07-02
公開日2014-11-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014

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