3BYZ
| 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | Descriptor: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Jordan, S.R, Li, V. | Deposit date: | 2008-01-16 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice. J.Med.Chem., 51, 2008
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5L4I
| Crystal Structure of Human Transthyretin in Complex with Clonixin | Descriptor: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | Deposit date: | 2016-05-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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3R4L
| Human very long half life Plasminogen Activator Inhibitor type-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasminogen activator inhibitor 1, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, J, Zheng, H, Han, Q, Skrzypczak-Jankun, E, Jankun, J. | Deposit date: | 2011-03-17 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Remarkable extension of PAI-1 half-life surprisingly brings no changes to its structure. Int.J.Mol.Med., 29, 2012
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5L4J
| Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS) | Descriptor: | 4-(4-hydroxyphenyl)sulfonylphenol, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | Deposit date: | 2016-05-25 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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5L4F
| Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC) | Descriptor: | 2,6-Dinitro-p-cresol, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | Deposit date: | 2016-05-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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5ZX5
| 3.3 angstrom structure of mouse TRPM7 with EDTA | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7 | Authors: | Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E. | Deposit date: | 2018-05-18 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5H2Z
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3OSY
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6ASY
| BiP-ATP2 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | Deposit date: | 2017-08-26 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s. Nat Commun, 8, 2017
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5GPH
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8U8X
| crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | Descriptor: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, J, Mou, T.C. | Deposit date: | 2023-09-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
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6BWD
| 3.7 angstrom cryoEM structure of truncated mouse TRPM7 | Descriptor: | CHOLESTEROL HEMISUCCINATE, MAGNESIUM ION, Transient receptor potential cation channel subfamily M member 7 | Authors: | Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E. | Deposit date: | 2017-12-14 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C6C
| Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C6H
| Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6GOO
| Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4 | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-01 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6C69
| Structure of glycolipid aGSA[12,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C6E
| Structure of glycolipid aGSA[26,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C6J
| Structure of glycolipid aGSA[8,P5p] in complex with mouse CD1d | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6MRK
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5VCJ
| Structure of alpha-galactosylphytosphingosine bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D.M. | Deposit date: | 2017-03-31 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Enhancing T cell responses and tumour immunity by vaccination with peptides conjugated to a weak NKT cell agonist. Org. Biomol. Chem., 17, 2019
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6BWF
| 4.1 angstrom Mg2+-unbound structure of mouse TRPM7 | Descriptor: | TRPM7 | Authors: | Zhang, J, Li, Z, Duan, J, Abiria, S.A, Clapham, D.E. | Deposit date: | 2017-12-14 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BWI
| 3.7 angstrom cryoEM structure of full length human TRPM4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Zhang, J, Li, Z, Duan, J, Li, J, Clapham, D.E. | Deposit date: | 2017-12-15 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of full-length human TRPM4. Proc.Natl.Acad.Sci.USA, 115, 2018
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8HGU
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6CCP
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6GRP
| Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-12 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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