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5I5V
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BU of 5i5v by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
5MKZ
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BU of 5mkz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(((3-methylthiophen-2-yl)methyl)amino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4, GLYCEROL
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5ML0
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BU of 5ml0 by Molmil
Bromodomain of Mouse PCAF with (R)-4-chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2B
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MLJ
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BU of 5mlj by Molmil
Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2A
著者Chung, C.-W.
登録日2016-12-06
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MLI
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BU of 5mli by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 4
著者Chung, C.-W.
登録日2016-12-06
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MKX
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BU of 5mkx by Molmil
1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
分子名称: 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, ...
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MKY
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BU of 5mky by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 4-chloro-2-methyl-5-((2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)amino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
3JQC
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BU of 3jqc by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (JU2)
分子名称: 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ7
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BU of 3jq7 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-phenylpteridine-2,4,7-triamine (DX2)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-phenylpteridine-2,4,7-triamine, ACETATE ION, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQF
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BU of 3jqf by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2)
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1,3,5-triazine-2,4,6-triamine, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ9
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BU of 3jq9 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (AX1)
分子名称: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQG
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BU of 3jqg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine (AX6)
分子名称: 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ8
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BU of 3jq8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine (DX3)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ6
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BU of 3jq6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7-bis(1-methylethyl)pteridine-2,4-diamine (DX1)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQE
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BU of 3jqe by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8)
分子名称: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQD
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BU of 3jqd by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7)
分子名称: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQB
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BU of 3jqb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
4CUM
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BU of 4cum by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one
分子名称: (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one, ACETATE ION, ARGININE, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-20
公開日2014-05-28
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CUL
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BU of 4cul by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one
分子名称: 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one, ACETATE ION, ARGININE, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-20
公開日2014-05-28
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CLO
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BU of 4clo by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-15
公開日2015-01-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CUN
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BU of 4cun by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione
分子名称: (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione, ACETATE ION, ARGININE, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-20
公開日2014-05-28
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CVG
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BU of 4cvg by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one.
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-25
公開日2014-05-28
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CM1
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BU of 4cm1 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-15
公開日2015-01-21
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMI
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BU of 4cmi by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-16
公開日2015-01-21
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014

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