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4CTC
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BU of 4ctc by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one
分子名称: (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
登録日2014-03-12
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 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 Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
8OUU
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BU of 8ouu by Molmil
Crystal structure of D1228V c-MET bound by compound 29
分子名称: 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ...
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUV
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BU of 8ouv by Molmil
Crystal structure of D1228V c-MET bound by compound 15
分子名称: 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OW3
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BU of 8ow3 by Molmil
Crystal structure of wild-type c-MET bound by compound 2
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-26
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-25
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
6E5N
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BU of 6e5n by Molmil
Solution structure of human Myosin VI isoform 3 (1050-1131) in complex with Clathrin light chain a (46-61)
分子名称: Clathrin light chain A, Unconventional myosin-VI
著者Buel, G.R, Walters, K.J.
登録日2018-07-20
公開日2019-11-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Clathrin light chain A drives selective myosin VI recruitment to clathrin-coated pits under membrane tension.
Nat Commun, 10, 2019
4CLJ
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BU of 4clj by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((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).
分子名称: (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, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
登録日2014-01-14
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.66 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 Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
8R3C
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BU of 8r3c by Molmil
Cocrystal form II of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8OWG
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BU of 8owg by Molmil
Crystal structure of D1228V c-MET bound by compound 2
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-27
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OVZ
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BU of 8ovz by Molmil
Crystal structure of D1228V c-MET bound by compound 16
分子名称: 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION
著者Collie, G.W.
登録日2023-04-26
公開日2023-07-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8BIG
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BU of 8big by Molmil
O-Methyltransferase Plu4895 in complex with SAH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGT
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BU of 8bgt by Molmil
O-Methyltransferase Plu4890 in complex with SAM
分子名称: GLYCEROL, Methyltransferase Plu4890, S-ADENOSYLMETHIONINE, ...
著者Huber, E.M, Groll, M.
登録日2022-10-28
公開日2023-03-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGY
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BU of 8bgy by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284a
分子名称: 1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
著者Huber, E.M, Groll, M.
登録日2022-10-28
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BH0
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BU of 8bh0 by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270b
分子名称: 3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
著者Huber, E.M, Groll, M.
登録日2022-10-28
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIB
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BU of 8bib by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-256
分子名称: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIE
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BU of 8bie by Molmil
O-Methyltransferase Plu4894 in complex with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4894
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BII
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BU of 8bii by Molmil
O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4895 H229N mutant
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIJ
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BU of 8bij by Molmil
O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIC
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BU of 8bic by Molmil
O-Methyltransferase Plu4891 in complex with SAH
分子名称: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIR
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BU of 8bir by Molmil
O-Methyltransferase Plu4895 in complex with SAH and AQ-256
分子名称: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, IODIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGZ
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BU of 8bgz by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-256
分子名称: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Huber, E.M, Groll, M.
登録日2022-10-28
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGX
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BU of 8bgx by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270a
分子名称: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
著者Huber, E.M, Groll, M.
登録日2022-10-28
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIH
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BU of 8bih by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
分子名称: 3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIF
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BU of 8bif by Molmil
O-Methyltransferase Plu4892 in complex with SAH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BID
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BU of 8bid by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
分子名称: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023

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