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5KZ0
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BU of 5kz0 by Molmil
Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide
分子名称: 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2016-07-22
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
著者Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
登録日2017-04-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
7LT3
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BU of 7lt3 by Molmil
NHEJ Long-range synaptic complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
著者He, Y, Chen, S.
登録日2021-02-18
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
7LSY
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BU of 7lsy by Molmil
NHEJ Short-range synaptic complex
分子名称: DNA (26-MER), DNA (5'-D(P*CP*AP*AP*TP*GP*AP*AP*AP*CP*GP*GP*AP*AP*CP*AP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*GP*TP*TP*CP*TP*TP*AP*GP*TP*AP*TP*AP*TP*A)-3'), ...
著者He, Y, Chen, S.
登録日2021-02-18
公開日2021-04-14
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-04-08
公開日2011-05-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YHV
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BU of 2yhv by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-06
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
3R8R
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BU of 3r8r by Molmil
Transaldolase from Bacillus subtilis
分子名称: GLYCEROL, SULFATE ION, Transaldolase
著者Schneider, G, Sandalova, T, Samland, A.
登録日2011-03-24
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conservation of structure and mechanism within the transaldolase enzyme family.
Febs J., 279, 2012
3R5E
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BU of 3r5e by Molmil
TRANSALDOLASE from Corynebacterium glutamicum
分子名称: SULFATE ION, Transaldolase
著者Sandalova, T, Samland, A.K, Schneider, G.
登録日2011-03-18
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conservation of structure and mechanism within the transaldolase enzyme family.
Febs J., 279, 2012
4ANL
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BU of 4anl by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2012-03-20
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
1ZEN
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BU of 1zen by Molmil
CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE
分子名称: CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION
著者Cooper, S.J, Leonard, G.A, Hunter, W.N.
登録日1996-07-08
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold.
Structure, 4, 1996
4ANQ
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BU of 4anq by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2012-03-21
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
1OVB
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BU of 1ovb by Molmil
THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 ANGSTROMS RESOLUTION
分子名称: CARBONATE ION, FE (III) ION, OVOTRANSFERRIN
著者Kuser, P, Lindley, P, Sarra, R.
登録日1992-10-05
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1TFD
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BU of 1tfd by Molmil
HIGH-RESOLUTION X-RAY STUDIES ON RABBIT SERUM TRANSFERRIN: PRELIMINARY STRUCTURE ANALYSIS OF THE N-TERMINAL HALF-MOLECULE AT 2.3 ANGSTROMS RESOLUTION
分子名称: CARBONATE ION, FE (III) ION, TRANSFERRIN
著者Sarra, R, Lindley, P.F.
登録日1990-08-16
公開日1993-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-Resolution X-Ray Studies on Rabbit Serum Transferrin: Preliminary Structure Analysis of the N-Terminal Half-Molecule at 2.3 Angstroms Resolution
Acta Crystallogr.,Sect.B, 46, 1990
4IQJ
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BU of 4iqj by Molmil
Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome
分子名称: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*GP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*CP*G)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DOC))-3'), ...
著者Liu, B, Lin, J, Steitz, T.
登録日2013-01-11
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome
Structure, 21, 2013
1DOT
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BU of 1dot by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF DUCK OVOTRANSFERRIN AT 2.3 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, DUCK OVOTRANSFERRIN, ...
著者Rawas, A, Muirhead, H.
登録日1995-08-03
公開日1996-03-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of diferric duck ovotransferrin at 2.35 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
6CNC
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BU of 6cnc by Molmil
Yeast RNA polymerase III open complex
分子名称: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Han, Y, He, Y.
登録日2018-03-08
公開日2018-08-22
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CND
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BU of 6cnd by Molmil
Yeast RNA polymerase III natural open complex (nOC)
分子名称: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Han, Y, He, Y.
登録日2018-03-08
公開日2018-08-22
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNB
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BU of 6cnb by Molmil
Yeast RNA polymerase III initial transcribing complex
分子名称: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Han, Y, He, Y.
登録日2018-03-08
公開日2018-08-22
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNF
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BU of 6cnf by Molmil
Yeast RNA polymerase III elongation complex
分子名称: DNA (79-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Han, Y, He, Y.
登録日2018-03-08
公開日2018-08-22
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
5CD4
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BU of 5cd4 by Molmil
The Type IE CRISPR Cascade complex from E. coli, with two assemblies in the asymmetric unit arranged back-to-back
分子名称: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
著者Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B.
登録日2015-07-03
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of CRISPR-RNA guided recognition of DNA targets in Escherichia coli.
Nucleic Acids Res., 43, 2015
6S9J
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BU of 6s9j by Molmil
Crystal structure of TfR1 mimicry in complex with GP1 from MACV
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, Pre-glycoprotein polyprotein GP complex, ...
著者Diskin, R, Cohen-Dvashi, H.
登録日2019-07-15
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Rational design of universal immunotherapy for TfR1-tropic arenaviruses.
Nat Commun, 11, 2020
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4CCU
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BU of 4ccu by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
分子名称: 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-28
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCB
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Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine
分子名称: 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014

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