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

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon