3N9W
 
 | | Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) in complex with 1,2-Propanediol | | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, R-1,2-PROPANEDIOL, S-1,2-PROPANEDIOL | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-05-31 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3LS7
 | | Crystal structure of Thermolysin in complex with Xenon | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Behnen, J, Klebe, G, Heine, A, Brumshtein, B. | | 登録日 | 2010-02-12 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Old acquantance rediscovered, use of xenon/protein complexes as a generic tool for SAD phasing of in house data
To be Published
|
|
3LZY
 | |
3MSN
 | | Crystal structure of Thermolysin in complex with N-methylurea | | 分子名称: | CALCIUM ION, GLYCEROL, N-METHYLUREA, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3M3D
 | | Crystal structure of Acetylcholinesterase in complex with Xenon | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Behnen, J, Brumshtein, B, Toker, L, Silman, I, Sussman, J.L, Klebe, G, Heine, A. | | 登録日 | 2010-03-09 | | 公開日 | 2011-03-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Old acquantance rediscover; use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published
|
|
3MSF
 | | Crystal structure of Thermolysin in complex with Urea | | 分子名称: | CALCIUM ION, GLYCEROL, Thermolysin, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3MS3
 | | Crystal structure of Thermolysin in complex with Aniline | | 分子名称: | ANILINE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3MSA
 | | Crystal structure of Thermolysin in complex with 3-Bromophenol | | 分子名称: | 3-bromophenol, CALCIUM ION, GLYCEROL, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3N4A
 | | Crystal structure of D-Xylose Isomerase in complex with S-1,2-Propandiol | | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, S-1,2-PROPANEDIOL, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-05-21 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3NN7
 | | Crystal structure of Thermolysin in complex with 2-bromoacetate | | 分子名称: | CALCIUM ION, Thermolysin, ZINC ION, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-06-23 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3N21
 | | Crystal structure of Thermolysin in complex with S-1,2-Propandiol | | 分子名称: | CALCIUM ION, S-1,2-PROPANEDIOL, Thermolysin, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-05-17 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3NX8
 | |
3PRS
 | | Endothiapepsin in complex with ritonavir | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-30 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3PVK
 | | Secreted aspartic protease 2 in complex with benzamidine | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZAMIDINE, Candidapepsin-2, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-12-07 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
3PCZ
 | |
3PWW
 | | Endothiapepsin in complex with saquinavir | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Endothiapepsin, GLYCEROL | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-12-09 | | 公開日 | 2011-12-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
|
|
