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PDB: 42 件

3TZB
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Quinone Oxidoreductase (NQ02) bound to NSC13000
分子名称: 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Dunstan, M.S, Leys, D.
登録日2011-09-27
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1901 Å)
主引用文献In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling.
Mol.Cancer Ther., 11, 2012
1Y39
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BU of 1y39 by Molmil
Co-evolution of protein and RNA structures within a highly conserved ribosomal domain
分子名称: 50S ribosomal protein L11, 58 Nucleotide Ribosomal 23S RNA Domain, COBALT (III) ION, ...
著者Dunstan, M.S, GuhaThakurta, D, Draper, D.E, Conn, G.L.
登録日2004-11-24
公開日2005-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Coevolution of Protein and RNA Structures within a Highly Conserved Ribosomal Domain
Chem.Biol., 12, 2005
6F53
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE QUADRUPLE VARIANT V88I/L99V/D103S/V101A
分子名称: Steroid Delta-isomerase
著者Dunstan, M, Currin, A.
登録日2017-11-30
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F4Y
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S
分子名称: Steroid Delta-isomerase
著者Dunstan, M, Currin, A.
登録日2017-11-30
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F54
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BU of 6f54 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S
分子名称: Steroid Delta-isomerase
著者Dunstan, M, Currin, A.
登録日2017-11-30
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F50
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BU of 6f50 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE DOUBLE VARIANT V88I/L99V
分子名称: Steroid Delta-isomerase
著者Dunstan, M, Currin, A.
登録日2017-11-30
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6GKV
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BU of 6gkv by Molmil
Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
分子名称: 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Dunstan, M.S, Levy, C.W.
登録日2018-05-22
公開日2018-06-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GKY
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Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
分子名称: 6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Dunstan, M.S, Levy, C.W.
登録日2018-05-22
公開日2018-06-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GKZ
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BU of 6gkz by Molmil
Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH
分子名称: Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Dunstan, M.S, Levy, C.W.
登録日2018-05-22
公開日2019-01-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
3GYQ
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BU of 3gyq by Molmil
Structure of the Thiostrepton-Resistance Methyltransferase S-adenosyl-L-methionine Complex
分子名称: S-ADENOSYLMETHIONINE, rRNA (adenosine-2'-O-)-methyltransferase
著者Dunstan, M.S, Conn, G.L.
登録日2009-04-04
公開日2009-04-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the thiostrepton-resistance methyltransferase-S-adenosyl-L-methionine complex and its interaction with ribosomal RNA
J.Biol.Chem., 284, 2009
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
3LA5
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BU of 3la5 by Molmil
X-ray crystal structure of mc6 RNA Riboswitch bound to azacytosine
分子名称: 6-amino-1,3,5-triazin-2(1H)-one, Adenosine RIboswitch, MAGNESIUM ION
著者Dunstan, M.S, Leys, D.
登録日2010-01-06
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Reengineering orthogonally selective riboswitches
Proc.Natl.Acad.Sci.USA, 107, 2010
4EPP
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BU of 4epp by Molmil
Canonical poly(ADP-ribose) glycohydrolase from Tetrahymena thermophila.
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2012-04-17
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4EPQ
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canonical poly(ADP-ribose) glycohydrolase RBPI inhibitor complex from Tetrahymena thermophila
分子名称: 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, Poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2012-04-17
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4LX6
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BU of 4lx6 by Molmil
X-ray crystal structure of the M6C" riboswitch aptamer bound to 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one (PPAO)
分子名称: 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one, MAGNESIUM ION, Mutated adenine riboswitch aptamer
著者Dunstan, M.S, Leys, D.
登録日2013-07-29
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
4LX5
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BU of 4lx5 by Molmil
X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA)
分子名称: MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine
著者Dunstan, M.S, Leys, D.
登録日2013-07-29
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
6Q57
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BU of 6q57 by Molmil
X-ray crystal structure of the tetrahydrofolate riboswitch aptamer bound to 5-deazatetrahydropterin
分子名称: 5-deazatetrahydropterin, MAGNESIUM ION, tetrahydrofolate riboswitch aptamer
著者Dunstan, M.S.
登録日2018-12-07
公開日2019-12-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Tetrahydrofolate Riboswitches Provide Distinct Genetic Outputs to Synthetic and Natural Signals.
To Be Published
3SII
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BU of 3sii by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase bound to the inhibitor ADP-HPD from Thermomonospora curvata
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2011-06-18
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SIH
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BU of 3sih by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Thermomonospora curvata
分子名称: poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2011-06-18
公開日2011-08-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SIJ
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BU of 3sij by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase E115A mutant from Thermomonospora curvata
分子名称: poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2011-06-18
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3TEM
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BU of 3tem by Molmil
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Dunstan, M.S, Leys, D.
登録日2011-08-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones.
J.Med.Chem., 54, 2011
3TE7
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BU of 3te7 by Molmil
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1
分子名称: 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Dunstan, M.S.
登録日2011-08-12
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones.
J.Med.Chem., 54, 2011
5MSD
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BU of 5msd by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and benzoic acid
分子名称: ADENOSINE MONOPHOSPHATE, BENZOIC ACID, Carboxylic acid reductase
著者Dunstan, M.S, Leys, D.
登録日2017-01-04
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSC
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BU of 5msc by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Carboxylic acid reductase
著者Dunstan, M.S, Leys, D.
登録日2017-01-04
公開日2017-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSQ
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BU of 5msq by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and iodide
分子名称: ADENOSINE MONOPHOSPHATE, Carboxylic acid reductase, IODIDE ION
著者Dunstan, M.S, Leys, D.
登録日2017-01-05
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure and mechanism of carboxylic acid reductase
To be published

 

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