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6QBS
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BU of 6qbs by Molmil
The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
分子名称: (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, CHLORIDE ION, ...
著者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.
登録日2018-12-21
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
3TEO
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BU of 3teo by Molmil
APO Form of carbon disulfide hydrolase (selenomethionine form)
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase
著者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.
登録日2011-08-15
公開日2011-10-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
3TEN
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BU of 3ten by Molmil
Holo form of carbon disulfide hydrolase
分子名称: CS2 hydrolase, ZINC ION
著者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.
登録日2011-08-15
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
8SKY
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Crystal structure of YisK from Bacillus subtilis in complex with oxalate
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-04-20
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUU
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BU of 8suu by Molmil
Crystal structure of YisK from Bacillus subtilis in apo form
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUT
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Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
6GL3
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Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44
分子名称: (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, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
著者Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J.
登録日2018-05-22
公開日2018-08-15
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献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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BU of 1nxb by Molmil
STRUCTURE AND FUNCTION OF SNAKE VENOM CURARIMIMETIC NEUROTOXINS
分子名称: NEUROTOXIN B, SULFATE ION
著者Tsernoglou, D, Petsko, G.A.
登録日1980-08-08
公開日1981-01-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure and function of snake venom curarimimetic neurotoxins.
Mol.Pharmacol., 14, 1978

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件を2024-04-24に公開中

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