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2LCJ
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BU of 2lcj by Molmil
Solution NMR structure of Pab PolII Intein
分子名称: Pab polC intein
著者Jiajing, L, Mills, K.V, Albracht, C.D.
登録日2011-04-29
公開日2011-09-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Mutational Studies of a Hyperthermophilic Intein from DNA Polymerase II of Pyrococcus abyssi.
J.Biol.Chem., 286, 2011
2WKM
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BU of 2wkm by Molmil
X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met
分子名称: (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2009-06-15
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
2XP2
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BU of 2xp2 by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066)
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, Timofeevski, S, Marrone, T, Cui, J.J.
登録日2010-08-24
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
2WGJ
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BU of 2wgj by Molmil
X-ray Structure of PF-02341066 bound to the kinase domain of c-Met
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, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Tran-Dube, M, Cui, J.J, Mroczkowski, B.
登録日2009-04-20
公開日2009-06-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
3ZXZ
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BU of 3zxz by Molmil
X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
分子名称: 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2011-08-16
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AOI
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BU of 4aoi by Molmil
Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
分子名称: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2012-03-27
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AP7
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BU of 4ap7 by Molmil
Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
分子名称: 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Wickersham, J.
登録日2012-03-30
公開日2012-09-26
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 Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3ZZE
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BU of 3zze by Molmil
Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide
分子名称: (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Deng, Y, Ryan, K, Cui, J.J.
登録日2011-08-31
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
5YY5
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BU of 5yy5 by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ...
著者Zhang, S, Wang, P, Zhou, P, Wang, X, Zhang, L.
登録日2017-12-08
公開日2018-08-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
5ZXV
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BU of 5zxv by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
分子名称: MERS-CoV RBD, heavy chain, light chain
著者Zhang, S, Wang, X.
登録日2018-05-21
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.482 Å)
主引用文献Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
5Z9R
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BU of 5z9r by Molmil
NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
分子名称: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
著者Dou, S, Ma, X, Li, D, Liu, C.
登録日2018-02-05
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
3KM4
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BU of 3km4 by Molmil
Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors
分子名称: (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Z, McKeever, B.M.
登録日2009-11-09
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of orally bioavailable alkyl amine renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4QPM
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BU of 4qpm by Molmil
Structure of Bub1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Lin, Z.H, Jia, L.Y, Tomchick, D.R, Luo, X.L, Yu, H.T.
登録日2014-06-24
公開日2014-10-22
最終更新日2014-12-24
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting.
Structure, 22, 2014
7SOL
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BU of 7sol by Molmil
Crystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6
分子名称: ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ...
著者Olsen, S.K, Gao, F, Lv, Z.
登録日2021-10-31
公開日2022-11-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.25000644 Å)
主引用文献Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Nat Commun, 13, 2022
3Q3T
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BU of 3q3t by Molmil
Alkyl Amine Renin Inhibitors: Filling S1 from S3
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, GLYCEROL, ...
著者Wu, Z, McKeever, B.
登録日2010-12-22
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.
Bioorg.Med.Chem.Lett., 21, 2011
7X53
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BU of 7x53 by Molmil
cytochrome P450 monooxygenase
分子名称: Cytochrome P450 family protein, PROTOPORPHYRIN IX CONTAINING FE
著者Yan, Y, Zheng, C.
登録日2022-03-03
公開日2023-03-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structure of cytochrome P450 monooxygenase at 3.35 Angstroms resolution.
To Be Published
7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZK
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BU of 7dzk by Molmil
Fabp protein after hv
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZL
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A69C-M71L mutant of Fabp protein
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7FEF
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Crystal structure of AtMBD6 with DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6
著者Wu, Z.B, Liu, K, Min, J.R.
登録日2021-07-19
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022

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