3TBM
 
 | | Crystal structure of a type 4 CDGSH iron-sulfur protein. | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, L(+)-TARTARIC ACID, NONAETHYLENE GLYCOL, ... | | Authors: | Lin, J, Zhang, L, Ye, K. | | Deposit date: | 2011-08-07 | | Release date: | 2011-10-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structure and Molecular Evolution of CDGSH Iron-Sulfur Domains.
Plos One, 6, 2011
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4LE8
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4LEB
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4LEE
 | | Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F | | Descriptor: | Agglutinin-like protein 3 | | Authors: | Lin, J, Garnett, J.A, Cota, E. | | Deposit date: | 2013-06-25 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Peptide-binding Cavity Is Essential for Als3-mediated Adhesion of Candida albicans to Human Cells.
J.Biol.Chem., 289, 2014
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2QD0
 | | Crystal structure of mitoNEET | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1 | | Authors: | Lin, J, Zhou, T, Ye, K, Wang, J. | | Deposit date: | 2007-06-20 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6NAD
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5W4R
 | | Structure of RORgt bound to a tertiary alcohol | | Descriptor: | 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma | | Authors: | Spurlino, J. | | Deposit date: | 2017-06-12 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
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5W4V
 | | Structure of RORgt bound to a tertiary alcohol | | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | | Authors: | Spurlino, J, Hars, U. | | Deposit date: | 2017-06-13 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
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8GDO
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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1WBK
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3PP5
 | | High-resolution structure of the trimeric Scar/WAVE complex precursor Brk1 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Brk1, ... | | Authors: | Linkner, J, Witte, G, Curth, U, Faix, J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution X-ray structure of the trimeric Scar/WAVE-complex precursor Brk1.
Plos One, 6, 2011
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1WBM
 | | HIV-1 protease in complex with symmetric inhibitor, BEA450 | | Descriptor: | (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE, POL PROTEIN (FRAGMENT) | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2004-11-02 | | Release date: | 2004-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease in Complex with Symmetric Inhibitor, Bea450
To be Published
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1WCU
 | | CBM29_1, A Family 29 Carbohydrate Binding Module from Piromyces equi | | Descriptor: | GLYCEROL, NON-CATALYTIC PROTEIN 1 | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davis, G.J, Gilbert, H.J. | | Deposit date: | 2004-11-22 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W8W
 | | CBM29-2 mutant Y46A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | NON-CATALYTIC PROTEIN 1 | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-09-30 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1Z2T
 | | NMR structure study of anchor peptide Ser65-Leu87 of enzyme acholeplasma laidlawii Monoglycosyldiacyl Glycerol Synthase (alMGS) in DHPC micelles | | Descriptor: | Anchor peptide Ser65-Leu87 of alMGS | | Authors: | Lind, J, Barany-Wallje, E, Ramo, T, Wieslander, A, Maler, L. | | Deposit date: | 2005-03-09 | | Release date: | 2006-03-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure, position of and membrane-interaction of a putative membrane-anchoring domain of alMGS
To be Published
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1W6H
 | | Novel plasmepsin II-inhibitor complex | | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1W5V
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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1W5Y
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-10-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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1W8T
 | | CBM29-2 mutant K74A complexed with cellulohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-09-28 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W90
 | | CBM29-2 mutant D114A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | 1,2-ETHANEDIOL, NON-CATALYTIC PROTEIN 1, SODIUM ION | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-10-01 | | Release date: | 2005-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W8Z
 | | CBM29-2 mutant K85A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | NON CATALYTIC PROTEIN 1 | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-10-01 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W9F
 | | CBM29-2 mutant R112A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | NON CATALYTIC PROTEIN 1 | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-10-12 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W5W
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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3DM6
 | | Beta-secretase 1 complexed with statine-based inhibitor | | Descriptor: | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL | | Authors: | Lindberg, J, Borkakoti, N, Nystrom, S. | | Deposit date: | 2008-06-30 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Bioorg.Med.Chem., 16, 2008
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