Author results

6RON
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ENDOTHIAPEPSIN IN COMPLEX WITH COMPOUND 046
Descriptor:Endothiapepsin, [(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane, GLYCEROL, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-05-13
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Endothiapepsin in complex with compound 046
To Be Published
6RSV
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ENDOTHIAPEPSIN IN COMPLEX WITH 017
Descriptor:Endothiapepsin, GLYCEROL, [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-05-22
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Endothiapepsin in complex with 017
To Be Published
6SCV
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ENDOTHIAPEPSIN IN COMPLEX WITH LIGAND 69
Descriptor:Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-25
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Endothiapepsin in complex with ligand 69
To Be Published
6SB9
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THERMOLYSIN IN COMPLEX WITH J28
Descriptor:Thermolysin, ZINC ION, CALCIUM ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-19
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Thermolysin in complex with J28
To Be Published
6SBK
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J13
Descriptor:Thermolysin, ZINC ION, CALCIUM ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-21
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J13
To Be Published
6SC0
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J22
Descriptor:Thermolysin, CALCIUM ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-23
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J22
To Be Published
6SC1
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J96
Descriptor:Thermolysin, ZINC ION, CALCIUM ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-23
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J96
To Be Published
6SC3
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J62
Descriptor:Thermolysin, CALCIUM ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-23
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J62
To Be Published
6SCK
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J77
Descriptor:Thermolysin, CALCIUM ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-24
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J77
To Be Published
6SCU
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THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
Descriptor:Thermolysin, ZINC ION, CALCIUM ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-25
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
To Be Published
6SDN
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH FRAGMENT J82
Descriptor:Farnesyl diphosphate synthase, ZINC ION, 4-NITROCATECHOL, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82
To Be Published
6SDO
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH 3NP
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
To Be Published
6SDP
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH FRAGMENT 4NP
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
To Be Published
6SDQ
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH FRAGMENT 2M5N
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, ZINC ION, ...
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
To Be Published
6SE2
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE APO STRUCTURE WITH ZINC IONS
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, ZINC ION
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions
To Be Published
6SF8
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH FRAGMENT J51
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-08-01
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
To Be Published
6SF9
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH FRAGMENT J71
Descriptor:Farnesyl diphosphate synthase, SULFATE ION, CAFFEINE
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-08-01
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71
To Be Published
6SFA
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE APO STRUCTURE WITH MN IONS
Descriptor:Farnesyl diphosphate synthase, MANGANESE (II) ION, SULFATE ION
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-08-01
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions
To Be Published
6T7N
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TRYPANOSOMA CRUZI FARNESYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH IPP AND MN
Descriptor:Farnesyl diphosphate synthase, MANGANESE (II) ION, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
Authors:Magari, F., Heine, A., Klebe, G.
Deposit date:2019-10-22
Release date:2020-11-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
To Be Published
5OJE
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ENDOTHIAPEPSIN WITH LIGAND VSK-B24
Descriptor:Endothiapepsin, (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, ...
Authors:Gierse, R.M., Magari, F., Groves, M.R., Heine, A., Klebe, G., Hirsch, A.
Deposit date:2017-07-21
Release date:2018-09-12
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.
ChemMedChem, 13, 2018
171588
PDB entries from 2020-11-25