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5DPZ
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BU of 5dpz by Molmil
Endothiapepsin in complex with fragment 31
分子名称: 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.328 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5MB7
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BU of 5mb7 by Molmil
Cocktail experiment B: fragments 224 and 236 at 50mM concentration
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, Endothiapepsin, GLYCEROL
著者Radeva, N, Koester, H, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Comparison of cocktail versus single soaking experiments
To Be Published
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Comparison of cocktails versus single soaking experiments
To Be Published
5MB6
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BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
分子名称: Endothiapepsin, GLYCEROL, SULFATE ION
著者Radeva, N, Koester, H, Heine, A, Klebe, G.
登録日2016-11-07
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Comparison of cocktail versus single soaking experiments
To Be Published
5MB3
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BU of 5mb3 by Molmil
Fragment 333 at a concentration of 50mM in complex with Endothiapepsin
分子名称: 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Comparison of cocktails versus single soaking experiments
To Be Published
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
分子名称: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Comparison of cocktail versus single soaking experimets
To Be Published
5DQ1
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BU of 5dq1 by Molmil
Endothiapepsin in complex with fragment 34
分子名称: 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.489 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5DQ2
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BU of 5dq2 by Molmil
Endothiapepsin in complex with fragment 48
分子名称: 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.514 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5ISK
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BU of 5isk by Molmil
Endothiapepsin in complex with fluorinated primary amine fragment
分子名称: 2-amino-1-(4-fluorophenyl)ethan-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.368 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
5HCO
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BU of 5hco by Molmil
Endothiapepsin in complex with hydrazide
分子名称: 4-(dimethylamino)benzohydrazide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-01-04
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5ISJ
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BU of 5isj by Molmil
Endothiapepsin in complex with chiral chlorinated primary amine fragment
分子名称: (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
4Y36
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BU of 4y36 by Molmil
Endothiapepsin in complex with fragment 4
分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3P
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BU of 4y3p by Molmil
Endothiapepsin in complex with fragment 17
分子名称: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y54
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BU of 4y54 by Molmil
Endothiapepsin in complex with fragment 56
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3E
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BU of 4y3e by Molmil
Endothiapepsin in complex with fragment 5
分子名称: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4U
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BU of 4y4u by Molmil
Endothiapepsin in complex with fragment 14
分子名称: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y51
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BU of 4y51 by Molmil
Endothiapepsin in complex with fragment 52
分子名称: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3W
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BU of 4y3w by Molmil
Endothiapepsin in complex with fragment 35
分子名称: (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3Z
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BU of 4y3z by Molmil
Endothiapepsin in complex with fragment 41
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y56
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BU of 4y56 by Molmil
Endothiapepsin in complex with fragment 58
分子名称: 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y53
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BU of 4y53 by Molmil
Endothiapepsin in complex with fragment 54
分子名称: 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y43
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BU of 4y43 by Molmil
Endothiapepsin in complex with fragment 42
分子名称: (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4X
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BU of 4y4x by Molmil
Endothiapepsin in complex with fragment 51
分子名称: 1,2-ETHANEDIOL, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y57
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BU of 4y57 by Molmil
Endothiapepsin in complex with fragment 63
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published

222415

件を2024-07-10に公開中

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