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5D9L
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BU of 5d9l by Molmil
Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
分子名称: 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
4LSO
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BU of 4lso by Molmil
Crystal structure of the soluble domain of a Type IV secretion system protein VirB8 from Bartonella quintana Toulouse
分子名称: Type IV secretion system protein virB8
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-07-22
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4MEI
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BU of 4mei by Molmil
Crystal structure of a VirB8 Type IV secretion system machinery soluble domain from Bartonella tribocorum
分子名称: VirB8 protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-08-26
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4NHF
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BU of 4nhf by Molmil
Crystal structure of the soluble domain of TrwG Type IV secretion machinery from Bartonella grahamii
分子名称: CALCIUM ION, TrwG protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-11-04
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
分子名称: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NW5
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BU of 4nw5 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
分子名称: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3GTD
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BU of 3gtd by Molmil
2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii
分子名称: Fumarate hydratase class II, MALONATE ION, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-27
公開日2009-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of fumarate hydratase from Rickettsia prowazekii, the agent of typhus and suspected relative of the mitochondria.
Acta Crystallogr.,Sect.F, 67, 2011
6CNZ
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BU of 6cnz by Molmil
Crystal Structure of Chorismate Mutase from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, Chorismate mutase, NITRATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-03-09
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of chorismate mutase from Burkholderia thailandensis.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5CT7
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BU of 5ct7 by Molmil
BRAF in Complex with RAF265
分子名称: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf
著者Appleton, B.A.
登録日2015-07-23
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.
Acs Med.Chem.Lett., 6, 2015
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
分子名称: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VAL
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BU of 5val by Molmil
BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
分子名称: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
7KZF
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BU of 7kzf by Molmil
High resolution cryo EM analysis of HPV16 identifies minor structural protein L2 and describes capsid flexibility
分子名称: Major capsid protein L1
著者Hartmann, S.R, Goetschius, D.J, Hafenstein, S.
登録日2020-12-10
公開日2021-02-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献High resolution cryo EM analysis of HPV16 identifies minor structural protein L2 and describes capsid flexibility.
Sci Rep, 11, 2021
6P9S
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BU of 6p9s by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9Q
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BU of 6p9q by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9P
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BU of 6p9p by Molmil
E.coli LpxA in complex with Compound 1
分子名称: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9R
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BU of 6p9r by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9T
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BU of 6p9t by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6WE5
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BU of 6we5 by Molmil
Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx
分子名称: Inorganic pyrophosphatase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-01
公開日2020-04-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx.
Acta Crystallogr.,Sect.F, 78, 2022
6WSA
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BU of 6wsa by Molmil
Crystal structure of a betaine aldehyde dehydrogenase from Burkholderia pseudomallei without cofactor
分子名称: 1,2-ETHANEDIOL, NAD/NADP-dependent betaine aldehyde dehydrogenase, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-30
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 78, 2022
6WSB
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BU of 6wsb by Molmil
Crystal structure of a betaine aldehyde dehydrogenase from Burkholderia pseudomallei bound to cofactor NAD
分子名称: GLYCEROL, NAD/NADP-dependent betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-30
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 78, 2022
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
分子名称: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6PQ3
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BU of 6pq3 by Molmil
Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
登録日2019-07-08
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
5BT9
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BU of 5bt9 by Molmil
Crystal Structure of FolM Alternative dihydrofolate reductase 1 from Brucella canis complexed with NADP
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-06-02
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of FolM alternative dihydrofolate reductase 1 from Brucella suis and Brucella canis.
Acta Crystallogr.,Sect.F, 78, 2022

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