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6VGI
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BU of 6vgi by Molmil
Crystal Structures of FLAP bound to MK-866
Descriptor: 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 5-lipoxygenase-activating protein, SULFATE ION
Authors:Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
Deposit date:2020-01-08
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
6VGC
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BU of 6vgc by Molmil
Crystal Structures of FLAP bound to DG-031
Descriptor: (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ...
Authors:Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
Deposit date:2020-01-07
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
6VL4
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BU of 6vl4 by Molmil
Crystal Structure of mPGES-1 bound to DG-031
Descriptor: (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ...
Authors:Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
Deposit date:2020-01-22
Release date:2020-12-02
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
1BKC
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BU of 1bkc by Molmil
CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE)
Descriptor: N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TUMOR NECROSIS FACTOR-ALPHA-CONVERTING ENZYME, ZINC ION
Authors:Maskos, K, Fernandez-Catalan, C, Bode, W.
Deposit date:1998-04-23
Release date:1999-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic domain of human tumor necrosis factor-alpha-converting enzyme.
Proc.Natl.Acad.Sci.USA, 95, 1998
6MNH
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BU of 6mnh by Molmil
ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ...
Authors:Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D.
Deposit date:2018-10-01
Release date:2019-03-27
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019

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