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PDB: 71 件
3RSS
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BU of 3rss by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RTC
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BU of 3rtc by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD and ATP.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRB
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BU of 3rrb by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, POTASSIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-04-29
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RT9
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BU of 3rt9 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A
分子名称: COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RSG
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BU of 3rsg by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD.
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRJ
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BU of 3rrj by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P5-Di(adenosine-5') pentaphosphate
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-04-29
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RS8
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BU of 3rs8 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RT7
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BU of 3rt7 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-glucose
分子名称: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, GLYCEROL, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RTE
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BU of 3rte by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP and ATP.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RS9
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BU of 3rs9 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P3-Di(adenosine-5') triphosphate
分子名称: BIS(ADENOSINE)-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RSQ
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BU of 3rsq by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RTG
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BU of 3rtg by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RU3
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BU of 3ru3 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADPH and ATP.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-04
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RU2
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BU of 3ru2 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADPH.
分子名称: BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-04
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
1SBO
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BU of 1sbo by Molmil
Solution Structure of putative anti sigma factor antagonist from Thermotoga maritima (TM1442)
分子名称: Putative anti-sigma factor antagonist TM1442
著者Etezady-Esfarjaini, T, Placzek, W.J, Herrmann, T, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2004-02-10
公開日2004-12-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of the putative anti-sigma-factor antagonist TM1442 from Thermotoga maritima in the free and phosphorylated states.
Magn.Reson.Chem., 44 Spec No, 2006
1T6R
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BU of 1t6r by Molmil
Solution structure of TM1442, a putative anti sigma factor antagonist in phosphorylated state
分子名称: Putative anti-sigma factor antagonist TM1442
著者Etezady-Esfarjani, T, Placzek, W, Herrmann, T, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2004-05-07
公開日2005-05-24
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Solution structures of the putative anti-sigma-factor antagonist TM1442 from Thermotoga maritima in the free and phosphorylated states.
Magn.Reson.Chem., 44 Spec No, 2006
2F1G
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BU of 2f1g by Molmil
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
分子名称: Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日2005-11-14
公開日2006-04-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16, 2006
2HHN
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BU of 2hhn by Molmil
Cathepsin S in complex with non covalent arylaminoethyl amide.
分子名称: Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日2006-06-28
公開日2007-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers
Bioorg.Med.Chem.Lett., 16, 2006
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
分子名称: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
登録日2006-06-27
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
3E0P
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BU of 3e0p by Molmil
The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
分子名称: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-07-31
公開日2008-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
3E16
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BU of 3e16 by Molmil
X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-01
公開日2008-09-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
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