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8HFA
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BU of 8hfa by Molmil
The structure of chitin deacetylase VdPDA1 from Verticillium dahliae
Descriptor: NodB homology domain-containing protein, ZINC ION
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2022-11-10
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Guo, G, Wang, B, Liu, J, Liu, Q.
Deposit date:2022-10-27
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
6WIU
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BU of 6wiu by Molmil
Crystal structure of a beta-glucosidase from Exiguobacterium marinum
Descriptor: Beta-glucosidase
Authors:Zanphorlin, L.M, Morais, M.A.B, Murakami, M.T.
Deposit date:2020-04-10
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.511 Å)
Cite:A rationally identified marine GH1 beta-glucosidase has distinguishing functional features for simultaneous saccharification and fermentation
Biofuels, Bioprod Bioref, 2020
8HF9
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BU of 8hf9 by Molmil
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
Descriptor: Chitin deacetylase, ZINC ION
Authors:Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
Deposit date:2022-11-10
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
8KA4
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BU of 8ka4 by Molmil
Arabidopsis AP endonuclease ARP complex with 21bp THF-containing DNA
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-(apurinic or apyrimidinic site) endonuclease, chloroplastic, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
1G65
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BU of 1g65 by Molmil
Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors
Descriptor: EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ...
Authors:Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C.
Deposit date:2000-11-03
Release date:2000-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors
J.Am.Chem.Soc., 122, 2000
6WMO
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BU of 6wmo by Molmil
Human poly-N-acetyl-lactosamine synthase structure demonstrates a modular assembly of catalytic subsites for GT-A glycosyltransferases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-04-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comparison of human poly-N-acetyl-lactosamine synthase structure with GT-A fold glycosyltransferases supports a modular assembly of catalytic subsites.
J.Biol.Chem., 296, 2020
6WUT
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BU of 6wut by Molmil
Mitochondrial SAM complex - high resolution monomer in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-05
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
2Z98
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BU of 2z98 by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in tetragonal crystals (The resolution has improved from 1.8 (1v4b) to 1.4 angstrom)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
2Z9C
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BU of 2z9c by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
8HAP
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BU of 8hap by Molmil
Crystal structure of thermostable acetaldehyde dehydrogenase from hyperthermophilic archaeon Sulfolobus tokodaii
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, SODIUM ION, ...
Authors:Mine, S, Nakabayashi, M, Ishikawa, K.
Deposit date:2022-10-26
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thermostable acetaldehyde dehydrogenase from the hyperthermophilic archaeon Sulfolobus tokodaii.
Acta Crystallogr.,Sect.F, 79, 2023
8HFK
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BU of 8hfk by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
Descriptor: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HFJ
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BU of 8hfj by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
Descriptor: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
6CJK
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BU of 6cjk by Molmil
Anti HIV Fab 10A
Descriptor: ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ...
Authors:Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D.
Deposit date:2018-02-26
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
6X4G
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BU of 6x4g by Molmil
Crystal structure of ICOS in complex with ICOS-L and an anti ICOS-L VNAR domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ICOS ligand, ...
Authors:Rujas, E, Sicard, T, Julien, J.P.
Deposit date:2020-05-22
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
8HP6
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BU of 8hp6 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase D12A mutant
Descriptor: (S)-2-haloacid dehalogenase, SODIUM ION
Authors:Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-12-12
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
5CMS
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BU of 5cms by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-07-17
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
Descriptor: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
8HP5
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BU of 8hp5 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase
Descriptor: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL
Authors:Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-12-12
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
5CRV
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BU of 5crv by Molmil
Crystal structure of the Bro domain of HD-PTP in a complex with the core region of STAM2
Descriptor: GLYCEROL, Signal transducing adapter molecule 2, Tyrosine-protein phosphatase non-receptor type 23
Authors:Lee, J, Ku, B, Kim, S.J.
Deposit date:2015-07-23
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Study of the HD-PTP Bro1 Domain in a Complex with the Core Region of STAM2, a Subunit of ESCRT-0
Plos One, 11, 2016
4NNJ
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BU of 4nnj by Molmil
Crystal structure of Uba1 in complex with ubiquitin-AMP and thioesterified ubiquitin
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Schaefer, A, Schindelin, H.
Deposit date:2013-11-18
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the ubiquitin-activating enzyme loaded with two ubiquitin molecules.
Acta Crystallogr.,Sect.D, 70, 2014
1G93
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BU of 1g93 by Molmil
CRYSTAL STRUCTURE OF THE BOVINE CATALYTIC DOMAIN OF ALPHA-1,3-GALACTOSYLTRANSFERASE IN THE PRESENCE OF UDP-GALACTOSE
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Gastinel, L.N, Bignon, C, Misra, A.K, Hindsgaul, O, Shaper, J.H, Joziasse, D.H.
Deposit date:2000-11-22
Release date:2001-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bovine alpha1,3-galactosyltransferase catalytic domain structure and its relationship with ABO histo-blood group and glycosphingolipid glycosyltransferases.
EMBO J., 20, 2001
4X1S
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BU of 4x1s by Molmil
The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-10-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014

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