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6BFD
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BU of 6bfd by Molmil
BACE crystal structure with hydroxy pyrrolidine inhibitor
Descriptor: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL
Authors:Timm, D.E.
Deposit date:2017-10-26
Release date:2017-11-15
Last modified:2017-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFW
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BU of 6bfw by Molmil
BACE crystal structure with hydroxy morpholine inhibitor
Descriptor: Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
Authors:Timm, D.E.
Deposit date:2017-10-27
Release date:2017-11-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
1SHP
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BU of 1shp by Molmil
THE NMR SOLUTION STRUCTURE OF A KUNITZ-TYPE PROTEINASE INHIBITOR FROM THE SEA ANEMONE STICHODACTYLA HELIANTHUS
Descriptor: TRYPSIN INHIBITOR
Authors:Antuch, W, Berndt, K, Chavez, M, Delfin, J, Wuthrich, K.
Deposit date:1992-11-17
Release date:1994-01-31
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:The NMR solution structure of a Kunitz-type proteinase inhibitor from the sea anemone Stichodactyla helianthus.
Eur.J.Biochem., 212, 1993
6FNE
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BU of 6fne by Molmil
Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain
Descriptor: (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL
Authors:Nawrotek, A, Zeghouf, M, Cherfils, J.
Deposit date:2018-02-03
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling.
Nat.Chem.Biol., 15, 2019
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