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PDB: 13 件
3N9W
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BU of 3n9w by Molmil
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
3PRS
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BU of 3prs by Molmil
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2024-10-30
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
3PWW
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BU of 3pww by Molmil
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2024-10-30
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
3PVK
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BU of 3pvk by Molmil
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2024-10-30
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
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BU of 3pcz by Molmil
Endothiapepsin in complex with benzamidine
分子名称: BENZAMIDINE, DIMETHYL SULFOXIDE, Endothiapepsin
著者Koester, H, Heine, A, Klebe, G.
登録日2010-10-22
公開日2011-10-19
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.5 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
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BU of 3nx8 by Molmil
human cAMP dependent protein kinase in complex with phenol
分子名称: PHENOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-07-13
公開日2011-07-13
最終更新日2012-02-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3MSN
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BU of 3msn by Molmil
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
3MSF
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BU of 3msf by Molmil
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
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BU of 3ms3 by Molmil
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
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BU of 3msa by Molmil
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
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BU of 3n4a by Molmil
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
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BU of 3nn7 by Molmil
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
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BU of 3n21 by Molmil
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

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件を2024-11-06に公開中

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