4Y38
 
 | | Endothiapepsin in complex with fragment B29 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4G
 | | Endothiapepsin in complex with fragment B53 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y3Y
 | | Endothiapepsin in complex with fragment B42 | | Descriptor: | 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y3J
 | | Endothiapepsin in complex with fragment B30 | | Descriptor: | 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y48
 | | Endothiapepsin in complex with fragment B50 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4J
 | | Endothiapepsin in complex with fragment B97 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4D
 | | Endothiapepsin in complex with fragment B51 | | Descriptor: | ACETATE ION, CAFFEINE, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4ZEA
 | | Endothiapepsin in complex with fragment B91 | | Descriptor: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-04-20 | | Release date: | 2016-05-04 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4ZE6
 | | Endothiapepsin in complex with fragment B39 | | Descriptor: | 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-04-20 | | Release date: | 2016-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4LXJ
 | | Saccharomyces cerevisiae lanosterol 14-alpha demethylase with lanosterol bound | | Descriptor: | LANOSTEROL, Lanosterol 14-alpha demethylase, OXYGEN MOLECULE, ... | | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, McDonald, J, Rodriguez, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2013-07-29 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5EQB
 | | Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4Y3L
 | | Endothiapepsin in complex with fragment 205 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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4Y3T
 | | Endothiapepsin in complex with fragment 207 | | Descriptor: | (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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4Y5A
 | | Endothiapepsin in complex with fragment 206 | | Descriptor: | 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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