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PDB: 3 results

6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
Descriptor: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UKD
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BU of 6ukd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a nitrile-based specific covalent inhibitor
Descriptor: NITRATE ION, Streptopain, benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-04
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:An Irreversible Inhibitor to Probe the Role ofStreptococcus pyogenesCysteine Protease SpeB in Evasion of Host Complement Defenses.
Acs Chem.Biol., 15, 2020
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
Descriptor: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-18
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020

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