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8E9R
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BU of 8e9r by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9K
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BU of 8e9k by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate at 278 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9O
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BU of 8e9o by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9Q
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BU of 8e9q by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9T
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BU of 8e9t by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9S
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BU of 8e9s by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS bound to maleic acid at 278 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9V
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BU of 8e9v by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
2JK6
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BU of 2jk6 by Molmil
Structure of Trypanothione Reductase from Leishmania infantum
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPANOTHIONE REDUCTASE
Authors:Baiocco, P, Colotti, G, Franceschini, S, Ilari, A.
Deposit date:2008-08-21
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
8E9J
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BU of 8e9j by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9P
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BU of 8e9p by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9D
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BU of 8e9d by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9C
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BU of 8e9c by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9U
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BU of 8e9u by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
4KXK
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BU of 4kxk by Molmil
Alanine-glyoxylate aminotransferase variant K390A/K391A in complex with the TPR domain of human Pex5p
Descriptor: BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, SULFATE ION, ...
Authors:Fodor, K, Lou, Y, Wilmanns, M.
Deposit date:2013-05-27
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes.
Traffic, 16, 2015
8E77
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BU of 8e77 by Molmil
rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ...
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E75
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BU of 8e75 by Molmil
Crystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA)
Descriptor: 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, SODIUM ION
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
7RFA
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BU of 7rfa by Molmil
NMR Solution structure of linear [T20K]kalataB1
Descriptor: Kalata-B4
Authors:Harvey, P.J, Craik, D.J, Gruber, C.W.
Deposit date:2021-07-14
Release date:2021-10-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Importance of the Cyclic Cystine Knot Structural Motif for Immunosuppressive Effects of Cyclotides.
Acs Chem.Biol., 16, 2021
4KYO
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BU of 4kyo by Molmil
Alanine-glyoxylate aminotransferase variant K390A in complex with the TPR domain of human Pex5p
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, ...
Authors:Fodor, K, Lou, Y, Wilmanns, M.
Deposit date:2013-05-29
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes.
Traffic, 16, 2015
3MY0
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BU of 3my0 by Molmil
Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189
Descriptor: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3
Authors:Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-05-08
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
Descriptor: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
Authors:Frkic, R.L, Huber, T, Jackson, C.J.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
5I90
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BU of 5i90 by Molmil
Crystal Structure of PvdN from Pseudomonas Aeruginosa
Descriptor: 1,2-ETHANEDIOL, PYRIDOXAL-5'-PHOSPHATE, PvdN
Authors:Drake, E.J, Gulick, A.M.
Deposit date:2016-02-19
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:1.2 angstrom resolution crystal structure of the periplasmic aminotransferase PvdN from Pseudomonas aeruginosa.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6HIU
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BU of 6hiu by Molmil
Cytochrome P460 from Methylococcus capsulatus (Bath)
Descriptor: Cytochrome P460, GLYCEROL, HEME C, ...
Authors:Adams, H, Chicano, T.M, Hough, M.A.
Deposit date:2018-08-31
Release date:2019-03-20
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:One fold, two functions: cytochrome P460 and cytochromec'-beta from the methanotrophMethylococcus capsulatus(Bath).
Chem Sci, 10, 2019
5MQZ
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BU of 5mqz by Molmil
Archaeal branched-chain amino acid aminotransferase from Archaeoglobus fulgidus; holoform
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:James, P, Isupov, M.N, Sayer, C, Littlechild, J.A, Sutter, J.M, Schmidt, M, Schoenheit, P.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization.
Front Bioeng Biotechnol, 7, 2019
8FCB
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BU of 8fcb by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
7OH1
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BU of 7oh1 by Molmil
Tetanus neurotoxin LC-HN domain in complex with TT110-Fab1
Descriptor: FAB TT110, Tetanus toxin
Authors:Grinzato, A, Kandiah, E, Zanotti, G.
Deposit date:2021-05-07
Release date:2021-10-27
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Exceptionally potent human monoclonal antibodies are effective for prophylaxis and treatment of tetanus in mice.
J.Clin.Invest., 131, 2021

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