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8SK4
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BU of 8sk4 by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)
Descriptor: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5, IMIDAZOLE
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-04-18
Release date:2023-06-07
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 2023
8SKH
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BU of 8skh by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
Descriptor: 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-04-19
Release date:2023-06-07
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
6NFA
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BU of 6nfa by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol, Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-19
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NEW
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BU of 6new by Molmil
Apo structure of the activated truncation of Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NF1
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BU of 6nf1 by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene vav, ...
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
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數據於2024-05-29公開中

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