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3J2V
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BU of 3j2v by Molmil
CryoEM structure of HBV core
Descriptor: PreC/core protein
Authors:Yu, X, Jin, L, Jih, J, Shih, C, Zhou, Z.H.
Deposit date:2013-01-11
Release date:2013-10-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:3.5 angstrom cryoEM Structure of Hepatitis B Virus Core Assembled from Full-Length Core Protein.
Plos One, 8, 2013
2I7O
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BU of 2i7o by Molmil
Structure of Re(4,7-dimethyl-phen)(Thr124His)(Lys122Trp)(His83Gln)AzCu(II), a Rhenium modified Azurin mutant
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Sudhamsu, J, Crane, B.R.
Deposit date:2006-08-31
Release date:2007-08-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Tryptophan-accelerated electron flow through proteins.
Science, 320, 2008
4EEV
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BU of 4eev by Molmil
Crystal structure of c-Met in complex with LY2801653
Descriptor: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Authors:Wang, Y, Stout, S.L.
Deposit date:2012-03-28
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
6KLA
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BU of 6kla by Molmil
Crystal structure of human c-KIT kinase domain in complex with compound 15a
Descriptor: Mast/stem cell growth factor receptor Kit, N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
Authors:Wu, T.S, Peng, Y.H, Hsueh, C.C, Wu, S.Y.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
6KOF
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BU of 6kof by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47
Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-08-09
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.263 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
6KW7
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BU of 6kw7 by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12
Descriptor: 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-09-06
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
6KPS
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BU of 6kps by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36
Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-08-16
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
5IUG
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BU of 5iug by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a
Descriptor: ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Authors:Tu, C.H, Wu, S.Y.
Deposit date:2016-03-18
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
5IUH
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BU of 5iuh by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d
Descriptor: 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide, ALK tyrosine kinase receptor
Authors:Tu, C.H, Wu, S.Y.
Deposit date:2016-03-18
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
5IUI
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BU of 5iui by Molmil
Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4
Descriptor: ALK tyrosine kinase receptor, N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Authors:Tu, C.H, Wu, S.Y.
Deposit date:2016-03-18
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
5EK3
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BU of 5ek3 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, J.S, Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
5EK4
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BU of 5ek4 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, S.Y, Peng, Y.H, Wu, J.S.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
5EK2
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BU of 5ek2 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, J.S, Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
5ETW
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BU of 5etw by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, S.Y, Peng, Y.H, Wu, J.S.
Deposit date:2015-11-18
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.
J.Med.Chem., 59, 2016

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