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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
6BDO
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BU of 6bdo by Molmil
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum complexed with a quinone inhibitor HQNO at 2.8A resolution
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Cook, G.M, Aragao, D, Nakatani, Y.
Deposit date:2017-10-23
Release date:2018-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the NDH-2 - HQNO inhibited complex provides molecular insight into quinone-binding site inhibitors.
Biochim. Biophys. Acta, 1859, 2018
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
7DRE
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BU of 7dre by Molmil
Cryo-EM structure of DfgA-B at 2.54 angstrom resolution
Descriptor: DfgB, Sugar phosphate isomerase/epimerase
Authors:Mori, T, Moriya, T, Adachi, N, Senda, T, Abe, I.
Deposit date:2020-12-28
Release date:2021-12-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
7DRD
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BU of 7drd by Molmil
Cryo-EM structure of DgpB-C at 2.85 angstrom resolution
Descriptor: AP_endonuc_2 domain-containing protein, DgpB
Authors:Mori, T, Moriya, T, Adachi, N, Senda, T, Abe, I.
Deposit date:2020-12-28
Release date:2021-12-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
7DBH
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BU of 7dbh by Molmil
The mouse nucleosome structure containing H3mm18
Descriptor: DNA (126-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
Authors:Hirai, S, Takizawa, Y, Kujirai, T, Kurumizaka, H.
Deposit date:2020-10-20
Release date:2022-01-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Unusual nucleosome formation and transcriptome influence by the histone H3mm18 variant.
Nucleic Acids Res., 50, 2022
3PFK
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BU of 3pfk by Molmil
PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL
Descriptor: PHOSPHATE ION, PHOSPHOFRUCTOKINASE
Authors:Evans, P.R, Hudson, P.J.
Deposit date:1988-01-25
Release date:1989-01-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phosphofructokinase: structure and control.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
7BVS
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BU of 7bvs by Molmil
DfgA-DfgB complex apo
Descriptor: DfgB, GLYCEROL, MANGANESE (II) ION, ...
Authors:Mori, T, He, H, Abe, I.
Deposit date:2020-04-11
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
5AYT
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BU of 5ayt by Molmil
Crystal structure of transthyretin in complex with L6
Descriptor: 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione, Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Kai, H.
Deposit date:2015-09-03
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural stabilization of transthyretin by a new compound, 6-benzoyl-2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
J. Pharmacol. Sci., 129, 2015
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
7E6P
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BU of 7e6p by Molmil
Fab-amyloid beta fragment complex
Descriptor: 1,2-ETHANEDIOL, Amyloid beta fragment with an intramolecular disulfide bond at positions 17 and 28, DI(HYDROXYETHYL)ETHER, ...
Authors:Kita, A, Irie, K, Irie, Y, Miki, K.
Deposit date:2021-02-23
Release date:2022-01-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of a Conformation-Restricted Amyloid beta Peptide and Immunoreactivity of Its Antibody in Human AD brain.
Acs Chem Neurosci, 12, 2021
7EBT
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BU of 7ebt by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form
Descriptor: CALCIUM ION, GLUTATHIONE, Glutathione transferase
Authors:Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
Deposit date:2021-03-11
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBW
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BU of 7ebw by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form
Descriptor: 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
Authors:Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
Deposit date:2021-03-11
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBV
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BU of 7ebv by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
Authors:Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
Deposit date:2021-03-11
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBU
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BU of 7ebu by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form
Descriptor: 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
Authors:Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
Deposit date:2021-03-11
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
Authors:Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
Deposit date:2021-04-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
1A6Y
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BU of 1a6y by Molmil
REVERBA ORPHAN NUCLEAR RECEPTOR/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*(5IT)P*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3'), ORPHAN NUCLEAR RECEPTOR NR1D1, ...
Authors:Zhao, Q, Khorasanizadeh, S, Rastinejad, F.
Deposit date:1998-03-04
Release date:1998-10-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural elements of an orphan nuclear receptor-DNA complex.
Mol.Cell, 1, 1998
7BSP
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BU of 7bsp by Molmil
Cryo-EM structure of a human ATP11C-CDC50A flippase in E1-AMPPCP state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, ...
Authors:Abe, K, Nishizawa, T, Nakanishi, H.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
7BSV
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BU of 7bsv by Molmil
Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdSer-occluded E2-AlF state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, CDC50A, ...
Authors:Abe, K, Nishizawa, T, Nakanishi, H.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
7BSW
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BU of 7bsw by Molmil
Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdEtn-occluded E2-AlF state
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, ...
Authors:Abe, K, Nishizawa, T, Nakanishi, H.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
7EXZ
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BU of 7exz by Molmil
DgpB-DgpC complex apo 2.5 angstrom
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ...
Authors:Mori, T, Senda, M, Senda, T, Abe, I.
Deposit date:2021-05-29
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
7EXB
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BU of 7exb by Molmil
DfgA-DfgB complex apo 2.4 angstrom
Descriptor: DfgB, MANGANESE (II) ION, SULFATE ION, ...
Authors:Mori, T, Senda, M, Senda, T, Abe, I.
Deposit date:2021-05-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021

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