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6QBS
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THE ALKYNE MOIETY AS A LATENT ELECTROPHILE IN IRREVERSIBLE COVALENT SMALL MOLECULE INHIBITORS OF CATHEPSIN K
Descriptor:Cathepsin K, (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, ...
Authors:Mons, E., Jansen, I.D.C., Loboda, J., van Doodewaerd, B.R., Verdoes, M., van Boeckel, C.A.A., van Veelen, P.A., Turk, B., Turk, D., Hermans, J., Ovaa, H.
Deposit date:2018-12-21
Release date:2019-02-06
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
3TEN
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HOLO FORM OF CARBON DISULFIDE HYDROLASE
Descriptor:CS2 hydrolase, ZINC ION
Authors:Smeulders, M.J., Barends, T.R.M.B., Pol, A., Scherer, A., Zandvoort, M.H., Udvarhelyi, A., Khadem, A., Menzel, A., Hermans, J., Shoeman, R.L., Wessels, H.J.C.T., van den Heuvel, L.P., Russ, L., Schlichting, I., Jetten, M.S.M., Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
3TEO
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APO FORM OF CARBON DISULFIDE HYDROLASE (SELENOMETHIONINE FORM)
Descriptor:Carbon disulfide hydrolase, CHLORIDE ION, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL
Authors:Smeulders, M.J., Barends, T.R.M.B., Pol, A., Scherer, A., Zandvoort, M.H., Udvarhelyi, A., Khadem, A., Menzel, A., Hermans, J., Shoeman, R.L., Wessels, H.J.C.T., van den Heuvel, L.P., Russ, L., Schlichting, I., Jetten, M.S.M., Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
6GL3
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CRYSTAL STRUCTURE OF HUMAN PHOSPHATIDYLINOSITOL 4-KINASE III BETA (PI4KIIIBETA) IN COMPLEX WITH LIGAND 44
Descriptor:Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide
Authors:Lammens, A., Augustin, M., Steinbacher, S., Reuberson, J.
Deposit date:2018-05-22
Release date:2018-08-15
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
1NXB
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STRUCTURE AND FUNCTION OF SNAKE VENOM CURARIMIMETIC NEUROTOXINS
Descriptor:NEUROTOXIN B, SULFATE ION
Authors:Tsernoglou, D., Petsko, G.A.
Deposit date:1980-08-08
Release date:1981-01-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and function of snake venom curarimimetic neurotoxins.
Mol.Pharmacol., 14, 1978