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5QBL
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BU of 5qbl by Molmil
Crystal structure of Endothiapepsin-NAT17-347147 complex
分子名称: (1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB8
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BU of 5qb8 by Molmil
Crystal structure of Endothiapepsin-FRG080 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBP
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BU of 5qbp by Molmil
Crystal structure of Endothiapepsin-NAT17-347290a complex
分子名称: 1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.297 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB7
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BU of 5qb7 by Molmil
Crystal structure of Endothiapepsin-FRG075 complex
分子名称: (3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBG
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BU of 5qbg by Molmil
Crystal structure of Endothiapepsin-FRG245 complex
分子名称: (6~{R})-1,4-oxazepan-6-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBQ
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BU of 5qbq by Molmil
Crystal structure of Endothiapepsin
分子名称: 4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBD
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BU of 5qbd by Molmil
Crystal structure of Endothiapepsin-FRG166 complex
分子名称: (1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBN
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BU of 5qbn by Molmil
Crystal structure of Endothiapepsin-NAT14-350193 complex
分子名称: 2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB9
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BU of 5qb9 by Molmil
Crystal structure of Endothiapepsin-FRG081 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBK
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BU of 5qbk by Molmil
Crystal structure of Endothiapepsin-NAT17-347144 complex
分子名称: (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBI
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BU of 5qbi by Molmil
Crystal structure of Endothiapepsin-FRG274 complex
分子名称: ACETATE ION, Endothiapepsin, GLYCEROL, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBA
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BU of 5qba by Molmil
Crystal structure of Endothiapepsin-FRG134 complex
分子名称: 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBT
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BU of 5qbt by Molmil
Crystal structure of Endothiapepsin-NAT17-346985 complex
分子名称: (1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBM
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BU of 5qbm by Molmil
Crystal structure of Endothiapepsin-NAT17-347151 complex
分子名称: (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.569 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBE
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BU of 5qbe by Molmil
Crystal structure of Endothiapepsin-FRG175 complex
分子名称: 1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBO
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BU of 5qbo by Molmil
Crystal structure of Endothiapepsin-NAT17-347283 complex
分子名称: (1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB5
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BU of 5qb5 by Molmil
Crystal structure of Endothiapepsin-FRG056 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBH
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BU of 5qbh by Molmil
Crystal structure of Endothiapepsin-FRG270 complex
分子名称: 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB6
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BU of 5qb6 by Molmil
Crystal structure of Endothiapepsin-FRG062 complex
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBF
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BU of 5qbf by Molmil
Crystal structure of Endothiapepsin-FRG203 complex
分子名称: 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBS
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BU of 5qbs by Molmil
Crystal structure of Endothiapepsin-NAT17-346976 complex
分子名称: (1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
6ROW
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BU of 6row by Molmil
Haemonchus galactose containing glycoprotein complex
分子名称: Cysteine Protease, Parasite pepsinogen, Putative zinc metallopeptidase
著者Scarff, C.A, Thompson, R.F, Newlands, G.F.J, Jamson, H, Kennaway, C, da Silva, V.J, Rabelo, E.M, Song, C.F, Trinick, J, Smith, W.D, Muench, S.P.
登録日2019-05-13
公開日2020-03-25
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure of the protective nematode protease complex H-gal-GP and its conservation across roundworm parasites.
Plos Pathog., 16, 2020
6QBG
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BU of 6qbg by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14
分子名称: (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
6QBH
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BU of 6qbh by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33
分子名称: (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
6QCB
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BU of 6qcb by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9
分子名称: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-27
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020

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件を2024-06-12に公開中

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