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6T7N
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BU of 6t7n by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, MANGANESE (II) ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-10-22
公開日2020-11-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
To Be Published
6SCV
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BU of 6scv by Molmil
Endothiapepsin in complex with ligand 69
分子名称: Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-25
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Endothiapepsin in complex with ligand 69
To Be Published
6RON
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BU of 6ron by Molmil
Endothiapepsin in complex with compound 046
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-05-13
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Endothiapepsin in complex with compound 046
To Be Published
6RSV
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BU of 6rsv by Molmil
Endothiapepsin in complex with 017
分子名称: 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-05-22
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Endothiapepsin in complex with 017
To Be Published
6SC0
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BU of 6sc0 by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J22
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide, BICARBONATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-23
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J22
To Be Published
6SCU
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BU of 6scu by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
分子名称: 4-diazanyl-4-oxidanylidene-butanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-25
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
To Be Published
6SDP
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BU of 6sdp by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
分子名称: Farnesyl diphosphate synthase, P-NITROPHENOL, SULFATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
To Be Published
6SBK
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BU of 6sbk by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J13
分子名称: (2,5-dimethylpyrazol-3-yl)methylcarbamic acid, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-21
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J13
To Be Published
6SC1
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BU of 6sc1 by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J96
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-23
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J96
To Be Published
6SCK
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BU of 6sck by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J77
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, D-ARGININE, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-24
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J77
To Be Published
6SB9
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BU of 6sb9 by Molmil
Thermolysin in complex with J28
分子名称: 2-(pyridin-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-19
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Thermolysin in complex with J28
To Be Published
6SE2
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BU of 6se2 by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions
分子名称: Farnesyl diphosphate synthase, SULFATE ION, ZINC ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions
To Be Published
6SC3
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BU of 6sc3 by Molmil
THERMOLYSIN IN COMPLEX WITH FRAGMENT J62
分子名称: BICARBONATE ION, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-23
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献THERMOLYSIN IN COMPLEX WITH FRAGMENT J62
To Be Published
6SF9
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BU of 6sf9 by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71
分子名称: CAFFEINE, Farnesyl diphosphate synthase, SULFATE ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-08-01
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71
To Be Published
6SDN
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BU of 6sdn by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82
分子名称: 4-NITROCATECHOL, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82
To Be Published
6SDO
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BU of 6sdo by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
分子名称: 3-nitrophenol, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
To Be Published
6SFA
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BU of 6sfa by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions
分子名称: Farnesyl diphosphate synthase, MANGANESE (II) ION, SULFATE ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-08-01
公開日2020-08-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions
To Be Published
6SDQ
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BU of 6sdq by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
分子名称: 2-methoxy-5-nitro-phenol, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
To Be Published
6SF8
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BU of 6sf8 by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
分子名称: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, Farnesyl diphosphate synthase, SULFATE ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-08-01
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
To Be Published
5OJE
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BU of 5oje by Molmil
Endothiapepsin with Ligand VSK-B24
分子名称: (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A.
登録日2017-07-21
公開日2018-09-12
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.
ChemMedChem, 13, 2018

219140

件を2024-05-01に公開中

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