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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
4O3V
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BU of 4o3v by Molmil
Crystal structure of a VirB8-like protein of type IV secretion system from Rickettsia typhi
分子名称: S,R MESO-TARTARIC ACID, VirB8-like protein of type IV secretion system
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-18
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
6V6L
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BU of 6v6l by Molmil
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
分子名称: 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
著者Bussiere, D.E, Fang, E, Shu, W.
登録日2019-12-05
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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
8FXB
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BU of 8fxb by Molmil
SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-01-24
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
8FXC
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BU of 8fxc by Molmil
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-01-24
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-05-24
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
8UK9
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BU of 8uk9 by Molmil
Structure of T4 Bacteriophage clamp loader mutant D110C bound to the T4 clamp, primer-template DNA, and ATP analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA primer, ...
著者Marcus, K, Ghaffari-Kashani, S, Gee, C.L.
登録日2023-10-12
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
8UH7
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BU of 8uh7 by Molmil
Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ...
著者Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L.
登録日2023-10-07
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.628 Å)
主引用文献Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
5VMT
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BU of 5vmt by Molmil
Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD
分子名称: CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-28
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis.
Protein Sci., 29, 2020
4KZ1
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BU of 4kz1 by Molmil
Crystal structure of the soluble domain of VirB8 from Bartonella grahamii
分子名称: VirB8 protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-05-29
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
分子名称: CITRATE ANION, GLYCEROL, GTPase NRas, ...
著者Dharmaiah, S, Simanshu, D.K.
登録日2020-04-05
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
4JF8
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BU of 4jf8 by Molmil
Crystal structure of a TrwG component of type IV secretion system protein from Bartonella birtlesii
分子名称: 1,2-ETHANEDIOL, TrwG component of type IV secretion system
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-02-27
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 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
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
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
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
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-03-28
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
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
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
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
5UJ5
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BU of 5uj5 by Molmil
Solution structure of the oxidized iron-sulfur protein adrenodoxin from Encephalitozoon cuniculi. Seattle Structural Genomics Center for Infectious Disease target EncuA.00705.a
分子名称: Adrenodoxin, FE2/S2 (INORGANIC) CLUSTER
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-01-17
公開日2017-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure for an Encephalitozoon cuniculi adrenodoxin-like protein in the oxidized state.
Protein Sci., 29, 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

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