5TZL
 
 | | 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
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1U21
 | | 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
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3ESO
 | | 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
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3ESN
 | | 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
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3CN0
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3CN3
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3CN4
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3CN2
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3CN1
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3ESP
 | | 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
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2QGE
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2QGB
 | | 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
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2QGD
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2QGC
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9C0B
 | | E.coli GroEL + PBZ1587 inhibitor | | Descriptor: | 60 kDa chaperonin, N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2024-05-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9C0D
 | | E.Faecium GroEL | | Descriptor: | Chaperonin GroEL | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2024-05-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9C0C
 | | E.coli GroEL apoenzyme | | Descriptor: | 60 kDa chaperonin | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2024-05-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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6OJF
 | | Dimeric structure of LRRK2 GTPase domain | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION | | Authors: | Hoang, Q.Q, Wu, C.X, Liao, J, Park, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be published
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6OJE
 | | Dimeric structure of LRRK2 GTPase domain | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION | | Authors: | Hoang, Q.Q, Wu, C.X, Liao, J, Park, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To Be Published
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4WG5
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4WG3
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4WG4
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3SX9
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4JBV
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4TZR
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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