3HC5
 
 | | FXR with SRC1 and GSK826 | | Descriptor: | 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2009-05-05 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
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3GZ6
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3HGZ
 | | Crystal structure of human insulin-degrading enzyme in complex with amylin | | Descriptor: | Insulin-degrading enzyme, Islet amyloid polypeptide, ZINC ION | | Authors: | Guo, Q, Bian, Y, Tang, W.J. | | Deposit date: | 2009-05-14 | | Release date: | 2009-12-08 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
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3GZ8
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7M3I
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | Deposit date: | 2007-10-22 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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2ZFB
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3D6D
 | | Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer) | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R. | | Deposit date: | 2008-05-19 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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2OSF
 | | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | | Descriptor: | 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ... | | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C. | | Deposit date: | 2007-02-05 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.
Biochemistry, 47, 2008
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2OKY
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2OSM
 | | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | | Descriptor: | 2-MERCAPTOPHENOL, Carbonic anhydrase 2, ZINC ION | | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-Mckenna, M, McKenna, R, Tripp, B.C. | | Deposit date: | 2007-02-06 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study.
Biochemistry, 47, 2008
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2OKW
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8SZ3
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ... | | Authors: | Sudom, A, Min, X. | | Deposit date: | 2023-05-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
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8TJC
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a | | Descriptor: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sudom, A, Min, X. | | Deposit date: | 2023-07-20 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
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8TIC
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ... | | Authors: | Sudom, A, Min, X. | | Deposit date: | 2023-07-19 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
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1UTG
 | | REFINEMENT OF THE C2221 CRYSTAL FORM OF OXIDIZED UTEROGLOBIN AT 1.34 ANGSTROMS RESOLUTION | | Descriptor: | UTEROGLOBIN | | Authors: | Morize, I, Surcouf, E, Vaney, M.C, Buehner, M, Mornon, J.P. | | Deposit date: | 1989-04-03 | | Release date: | 1989-10-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Refinement of the C222(1) crystal form of oxidized uteroglobin at 1.34 A resolution.
J.Mol.Biol., 194, 1987
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1TAL
 | | ALPHA-LYTIC PROTEASE AT 120 K (SINGLE STRUCTURE MODEL) | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Rader, S.D, Agard, D.A. | | Deposit date: | 1996-10-30 | | Release date: | 1997-04-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution.
Protein Sci., 6, 1997
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1B9C
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1BHL
 | | CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | HIV-1 INTEGRASE | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-06-10 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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1BI4
 | | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | INTEGRASE | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-06-22 | | Release date: | 1998-11-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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1BOQ
 | | PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE | | Descriptor: | PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION | | Authors: | Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A. | | Deposit date: | 1998-08-05 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
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1BL3
 | | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | INTEGRASE, MAGNESIUM ION | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-07-23 | | Release date: | 1998-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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7SCO
 | | Structure of H1 influenza hemagglutinin bound to Fab 310-39G10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ... | | Authors: | Torrents de la Pena, A, Ward, A.B. | | Deposit date: | 2021-09-28 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus.
Immunity, 55, 2022
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5EQH
 | | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5ER7
 | | Connexin-26 Bound to Calcium | | Descriptor: | CALCIUM ION, Gap junction beta-2 protein | | Authors: | Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-01-27 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.286 Å) | | Cite: | An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
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