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X線構造因子データを含む全てのPDBエントリー
4Y3A
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BU of 4y3a by Molmil
Endothiapepsin in complex with fragment 181
分子名称: 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y3B
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BU of 4y3b by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
分子名称: (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C
著者Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C.
登録日2015-02-10
公開日2015-12-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y3C
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BU of 4y3c by Molmil
I304V 3D polymerase mutant of EMCV
分子名称: 3D polymerase, CHLORIDE ION, GLYCEROL
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y3D
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BU of 4y3d by Molmil
Endothiapepsin in complex with fragment 321
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Fu, K, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Crystallographic Fragment Screening of an Entrire 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2024-11-06
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
4Y3F
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BU of 4y3f by Molmil
Endothiapepsin in complex with fragment 78
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3G
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BU of 4y3g by Molmil
Endothiapepsin in complex with fragment 285
分子名称: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3H
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BU of 4y3h by Molmil
Endothiapepsin in complex with fragment 189
分子名称: 2-(pyridin-3-yl)ethanamine, ACETATE ION, Endothiapepsin, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y3I
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BU of 4y3i by Molmil
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, low dose
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M.
登録日2015-02-10
公開日2015-05-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
4Y3J
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BU of 4y3j by Molmil
Endothiapepsin in complex with fragment B30
分子名称: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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
4Y3K
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BU of 4y3k by Molmil
Structure of Vaspin mutant E379S
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12
著者Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T.
登録日2015-02-10
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
4Y3L
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BU of 4y3l by Molmil
Endothiapepsin in complex with fragment 205
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y3M
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BU of 4y3m by Molmil
Endothiapepsin in complex with fragment 103
分子名称: 2-(4-fluorophenyl)acetohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-20
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
4Y3N
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BU of 4y3n by Molmil
Endothiapepsin in complex with fragment 273
分子名称: 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3O
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BU of 4y3o by Molmil
Crystal structure of Ribosomal oxygenase NO66 in complex with substrate Rpl8 peptide and Ni(II) and cofactor N-oxalyglycine
分子名称: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, GLYCEROL, ...
著者Wang, C, Zhang, Q, Zang, J.
登録日2015-02-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
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2024-10-23
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
4Y3Q
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BU of 4y3q by Molmil
Endothiapepsin in complex with fragment 109
分子名称: 4-(diethylamino)benzohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-20
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
4Y3R
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BU of 4y3r by Molmil
Endothiapepsin in complex with fragment 306
分子名称: 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3S
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BU of 4y3s by Molmil
Endothiapepsin in complex with fragment 266
分子名称: 6-(dimethylamino)pyridine-3-carboxylic acid, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3T
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BU of 4y3t by Molmil
Endothiapepsin in complex with fragment 207
分子名称: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ...
著者Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y3U
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BU of 4y3u by Molmil
The structure of phospholamban bound to the calcium pump SERCA1a
分子名称: Cardiac phospholamban, POTASSIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
著者Hurley, T.D.
登録日2015-02-10
公開日2015-02-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J. Biol. Chem., 288, 2013
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2024-11-06
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
4Y3X
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BU of 4y3x by Molmil
Endothiapepsin in complex with fragment 171
分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-11-13
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
4Y3Y
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BU of 4y3y by Molmil
Endothiapepsin in complex with fragment B42
分子名称: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
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 (1.346 Å)
主引用文献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
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2024-10-16
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

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件を2025-07-23に公開中

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