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6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
分子名称: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZH
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BU of 6nzh by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZF
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BU of 6nzf by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZE
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BU of 6nze by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
4ETW
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BU of 4etw by Molmil
Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis
分子名称: Acyl carrier protein, Pimelyl-[acyl-carrier protein] methyl ester esterase, methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
著者Agarwal, V, Nair, S.K.
登録日2012-04-24
公開日2012-10-17
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the enzyme-acyl carrier protein (ACP) substrate gatekeeper complex required for biotin synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
6JHY
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BU of 6jhy by Molmil
Crystal Structure of the S1 subunit N-terminal domain from DcCoV UAE-HKU23 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein
著者Lu, G, Cheng, Y, Ye, F.
登録日2019-02-19
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the S1 subunit N-terminal domain from DcCoV UAE-HKU23 spike protein.
Virology, 535, 2019
4FGY
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BU of 4fgy by Molmil
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
分子名称: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Wang, R, Li, Y.
登録日2012-06-05
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
7VPW
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BU of 7vpw by Molmil
Crystal structure of Transportin-1 in complex with BAP1 PY-NLS (residues 706-724)
分子名称: BRCA1-associated protein 1 (BAP1), Transportin-1
著者Yang, T.J, Hsu, S.T.D.
登録日2021-10-18
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.76 Å)
主引用文献Tumor suppressor BAP1 nuclear import is governed by transportin-1.
J.Cell Biol., 221, 2022
3WOH
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BU of 3woh by Molmil
Structure of Ketoreductase SiaM from Streptomyces sp. A7248
分子名称: SiaM
著者Wang, H, Zhang, H.
登録日2013-12-29
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the tetramerization of an iterative ketoreductase siam through aromatic residues in the interfaces
Plos One, 9, 2014
5HDP
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BU of 5hdp by Molmil
Hydrolase StnA mutant - S185A
分子名称: Hydrolase, methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
著者Qian, T.
登録日2016-01-05
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
5HDF
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BU of 5hdf by Molmil
Hydrolase SeMet-StnA
分子名称: Hydrolase
著者Qian, T.
登録日2016-01-05
公開日2017-01-11
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
4N7L
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BU of 4n7l by Molmil
Zinc Substituted Reaction Center M(L214H) Variant of Rhodobacter sphaeroides
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ...
著者Hardjasa, A, Murphy, M.E.P.
登録日2013-10-15
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2014
5V8K
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BU of 5v8k by Molmil
Homodimeric reaction center of H. modesticaldum
分子名称: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ...
著者Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R.
登録日2017-03-22
公開日2017-09-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a symmetric photosynthetic reaction center-photosystem.
Science, 357, 2017
4KFW
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BU of 4kfw by Molmil
Structural insight into Golgi membrane stacking by GRASP65 and GRASP55
分子名称: Golgi reassembly stacking protein 2
著者Liu, X, Hu, J.
登録日2013-04-28
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into Golgi membrane stacking by GRASP65 and GRASP55 proteins
J.Biol.Chem., 288, 2013
4KFV
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BU of 4kfv by Molmil
Structural insight into Golgi membrane stacking by GRASP65 and GRASP55
分子名称: CHLORIDE ION, Golgi reassembly-stacking protein 1, ZINC ION
著者Liu, X, Hu, J.
登録日2013-04-28
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insight into Golgi membrane stacking by GRASP65 and GRASP55 proteins
J.Biol.Chem., 288, 2013
4N7K
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BU of 4n7k by Molmil
Zinc Substituted Reaction Center of the Rhodobacter sphaeroides
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ...
著者Hardjasa, A, Murphy, M.E.P.
登録日2013-10-15
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2013
6N7W
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BU of 6n7w by Molmil
Structure of bacteriophage T7 leading-strand DNA polymerase (D5A/E7A)/Trx in complex with a DNA fork and incoming dTTP (from multiple lead complexes)
分子名称: DNA (25-MER), DNA (77-MER), DNA-directed DNA polymerase, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-11-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N9V
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BU of 6n9v by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS1)
分子名称: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N7I
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BU of 6n7i by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (gp4(5)-DNA)
分子名称: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
著者Gao, Y, Cui, Y, Zhou, Z, Yang, W.
登録日2018-11-27
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N9U
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BU of 6n9u by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) interacting with primase domains of two gp4 subunits bound to an RNA/DNA hybrid and dTTP (from LagS1)
分子名称: DNA (44-MER), DNA primase/helicase, DNA-directed DNA polymerase, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N9X
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BU of 6n9x by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS3)
分子名称: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N7T
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BU of 6n7t by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form III)
分子名称: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
著者Gao, Y, Cui, Y, Zhou, Z, Yang, W.
登録日2018-11-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N7S
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BU of 6n7s by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form II)
分子名称: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
著者Gao, Y, Cui, Y, Zhou, Z, Yang, W.
登録日2018-11-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N7N
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BU of 6n7n by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form I)
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase/helicase, MAGNESIUM ION, ...
著者Gao, Y, Cui, Y, Zhou, Z, Yang, W.
登録日2018-11-27
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019

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