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5TZL
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BU of 5tzl by Molmil
Structure of transthyretin in complex with the kinetic stabilizer 201
Descriptor: 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin
Authors:Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M.
Deposit date:2016-11-21
Release date:2017-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1U21
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BU of 1u21 by Molmil
transthyretin with tethered inhibitor on one monomer.
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Wiseman, R.L, Johnson, S.M, Kelker, M.S, Foss, T, Wilson, I.A, Kelly, J.W.
Deposit date:2004-07-16
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Kinetic stabilization of an oligomeric protein by a single ligand binding event
J.Am.Chem.Soc., 127, 2005
3CN3
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BU of 3cn3 by Molmil
Human transthyretin (TTR) in complex with 1,3-Dibromo-2-hydroxy-5-phenoxybenzene
Descriptor: 2,6-dibromo-4-phenoxyphenol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CN4
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BU of 3cn4 by Molmil
Human transthyretin (TTR) in complex with N-(3,5-Dibromo-4-hydroxyphenyl)benzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CN2
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BU of 3cn2 by Molmil
Human transthyretin (TTR) in complex with 3,5-Dibromo-4-hydroxybiphenyl
Descriptor: 3,5-dibromobiphenyl-4-ol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CN0
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BU of 3cn0 by Molmil
Human transthyretin (TTR) in complex with 3,5-Dimethyl-4-hydroxystilbene
Descriptor: 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CN1
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BU of 3cn1 by Molmil
Human transthyretin (TTR) in complex with 3,5-Dibromo-4-hydroxystilbene
Descriptor: 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-03-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3ESP
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BU of 3esp by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-3,5-dimethyl-4-hydroxybenzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3ESO
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BU of 3eso by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide
Descriptor: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3ESN
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BU of 3esn by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
2QGE
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BU of 2qge by Molmil
Human transthyretin (TTR) complexed with 2-(3,5-Dimethylphenyl)benzoxazole
Descriptor: 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2007-06-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
J.Med.Chem., 51, 2008
2QGB
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BU of 2qgb by Molmil
Human transthyretin (TTR) in Apo-form
Descriptor: Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2007-06-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
J.Med.Chem., 51, 2008
2QGD
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BU of 2qgd by Molmil
Human transthyretin (TTR) complexed with 2-(3,5-Dibromo-4-hydroxyphenyl)benzoxazole
Descriptor: 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2007-06-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
J.Med.Chem., 51, 2008
2QGC
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BU of 2qgc by Molmil
Human transthyretin (TTR) complexed with 2-(3,5-Dimethyl-4-hydroxyphenyl)benzoxazole
Descriptor: 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2007-06-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
J.Med.Chem., 51, 2008
3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
6XAF
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BU of 6xaf by Molmil
1.9A crystal structure of the GTPase domain of Parkinson's disease-associated protein LRRK2 carrying R1398H
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
Authors:Hoang, Q.Q, Liao, J, Huang, X, Park, Y, Wu, C.X.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be Published
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3V
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BU of 3t3v by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
Descriptor: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
Descriptor: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

 

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