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5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWT
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BU of 5bwt by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWX
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BU of 5bwx by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWR
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BU of 5bwr by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5F9S
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BU of 5f9s by Molmil
Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.7 Angstrom; internal aldimine with PLP in the active site
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2015-12-10
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5WML
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BU of 5wml by Molmil
Arabidopsis thaliana Prephenate Aminotransferase mutant- K306A
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Bifunctional aspartate aminotransferase and glutamate/aspartate-prephenate aminotransferase, GLUTAMIC ACID
Authors:Jez, J.M, Holland, C.K.
Deposit date:2017-07-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural basis for substrate recognition and inhibition of prephenate aminotransferase from Arabidopsis.
Plant J., 94, 2018
5EUN
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BU of 5eun by Molmil
The Crystal Structure of Human Kynurenine Aminotransferase II, PLP-bound form, at 1.83 A
Descriptor: Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Authors:Nematollahi, A, Sun, G, Kwan, A, Jeffries, C.M, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B.
Deposit date:2015-11-18
Release date:2015-12-16
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Structure of the PLP-Form of the Human Kynurenine Aminotransferase II in a Novel Spacegroup at 1.83 angstrom Resolution.
Int J Mol Sci, 17, 2016
3PAA
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BU of 3paa by Molmil
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D.
Deposit date:2010-10-19
Release date:2010-12-01
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
3PA9
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BU of 3pa9 by Molmil
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D.
Deposit date:2010-10-19
Release date:2010-12-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
5WMK
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BU of 5wmk by Molmil
Arabidopsis thaliana Prephenate Aminotransferase double mutant- T84V K169V
Descriptor: BORIC ACID, Bifunctional aspartate aminotransferase and glutamate/aspartate-prephenate aminotransferase, MALONATE ION
Authors:Jez, J.M, Holland, C.K.
Deposit date:2017-07-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Structural basis for substrate recognition and inhibition of prephenate aminotransferase from Arabidopsis.
Plant J., 94, 2018
4CBS
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BU of 4cbs by Molmil
X-ray structure of quintuple mutant of human alanine glyoxylate aminotransferase, AGXT_RHEAM
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE--PYRUVATE AMINOTRANSFERASE
Authors:Yunta, C, Albert, A.
Deposit date:2013-10-16
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Consensus-Based Approach for Gene/Enzyme Replacement Therapies and Crystallization Strategies: The Case of Human Alanine:Glyoxylate Aminotransferase.
Biochem.J., 462, 2014
3MEB
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BU of 3meb by Molmil
Structure of cytoplasmic aspartate aminotransferase from giardia lamblia
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-31
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6SLO
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BU of 6slo by Molmil
Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine
Descriptor: 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol, MAGNESIUM ION, Thioredoxin,Poly(U)-binding-splicing factor PUF60
Authors:Jagtap, P.K.A, Kubelka, T, Bach, T, Sattler, M.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly.
Nat Commun, 11, 2020
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
5BWU
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BU of 5bwu by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWW
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BU of 5bww by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CE8
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BU of 5ce8 by Molmil
Crystal structure of branched-chain aminotransferase from thermophilic archaea Thermoproteus uzoniensis
Descriptor: Branched-chain amino acid aminotransferase, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE
Authors:Boyko, K.M, Nikolaeva, A.Y, Stekhanova, T.N, Mardanov, A.V, Rakitin, A.L, Ravin, N.V, Popov, V.O.
Deposit date:2015-07-06
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:First structure of archaeal branched-chain amino acid aminotransferase from Thermoproteus uzoniensis specific for L-amino acids and R-amines.
Extremophiles, 20, 2016
4JE5
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BU of 4je5 by Molmil
Crystal structure of the aromatic aminotransferase Aro8, a putative alpha-aminoadipate aminotransferase in Saccharomyces cerevisiae
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic/aminoadipate aminotransferase 1, ...
Authors:Bulfer, S.L, Brunzelle, J.S, Trievel, R.C.
Deposit date:2013-02-26
Release date:2013-09-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Crystal structure of Saccharomyces cerevisiae Aro8, a putative alpha-aminoadipate aminotransferase.
Protein Sci., 22, 2013
5X7G
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BU of 5x7g by Molmil
Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase
Descriptor: CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, GLYCEROL, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K.
Deposit date:2017-02-26
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
4Y0D
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BU of 4y0d by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
Deposit date:2015-02-05
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
4E4C
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BU of 4e4c by Molmil
Crystal structure of Notexin at 1.8 A resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase A2, SULFATE ION
Authors:Ullah, A, Spencer, P, Murakami, M.T, Arni, R.K.
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of Notexin
To be Published
4Y0H
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BU of 4y0h by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Descriptor: 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
Deposit date:2015-02-06
Release date:2015-03-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
4MY5
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BU of 4my5 by Molmil
Crystal structure of the aromatic amino acid aminotransferase from Streptococcus mutants
Descriptor: Putative amino acid aminotransferase
Authors:Cong, X, Li, X, Ge, J, Feng, Y, Feng, X, Li, S.
Deposit date:2013-09-27
Release date:2014-10-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of the aromatic-amino-acid aminotransferase from Streptococcus mutans.
Acta Crystallogr.,Sect.F, 75, 2019
3NNK
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BU of 3nnk by Molmil
Biochemical and Structural Characterization of a Ureidoglycine Aminotransferase in the Klebsiella pneumoniae Uric Acid Catabolic Pathway
Descriptor: Ureidoglycine-glyoxylate aminotransferase
Authors:French, J.B, Ealick, S.E.
Deposit date:2010-06-23
Release date:2010-07-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Biochemical and Structural Characterization of a Ureidoglycine Aminotransferase in the Klebsiella pneumoniae Uric Acid Catabolic Pathway.
Biochemistry, 49, 2010
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015

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数据于2024-10-16公开中

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