2LTB
 
 | | Wild-type FAS1-4 | | Descriptor: | Transforming growth factor-beta-induced protein ig-h3 | | Authors: | Underhaug, J, Nielsen, N, Runager, K. | | Deposit date: | 2012-05-16 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization.
Biochim.Biophys.Acta, 1834, 2013
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1VR0
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3PBD
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 1H-isoindol-3-amine, Endothiapepsin, GLYCEROL | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-10-20 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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1TX8
 | | Bovine Trypsin complexed with AMSO | | Descriptor: | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen | | Authors: | Mesecar, A.D. | | Deposit date: | 2004-07-02 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
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3PBZ
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 4-(diethylamino)benzohydrazide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-10-21 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3PDF
 | | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, B, Laine, D. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2, 2011
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3PM4
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, Endothiapepsin, GLYCEROL | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-16 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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2JSA
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3PGI
 | | Endothiapepsin in complex with a fragment | | Descriptor: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-02 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3PI0
 | | Endothiapepsin in complex with a fragment | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3PS1
 | | Crystal structure of the Escherichia Coli LPXC/LPC-011 complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
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1VLR
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1VQ3
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1VKM
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1VJ1
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2L6A
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1VQR
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1VR8
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1VPZ
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1VKH
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2LTH
 | | NMR structure of major ampullate spidroin 1 N-terminal domain at pH 5.5 | | Descriptor: | Major ampullate spidroin 1 | | Authors: | Otikovs, M, Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S, Johansson, J. | | Deposit date: | 2012-05-25 | | Release date: | 2013-11-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation.
Nat Commun, 5, 2014
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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2LTC
 | | Fas1-4, R555W | | Descriptor: | Transforming growth factor-beta-induced protein ig-h3 | | Authors: | Underhaug, J, Nielsen, N, Runager, K. | | Deposit date: | 2012-05-16 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization.
Biochim.Biophys.Acta, 1834, 2013
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4BVD
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide, APOLIPOPROTEIN(A), CHLORIDE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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2R9S
 | | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ... | | Authors: | Habel, J. | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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