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PDB: 227 件

3NS7
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Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
分子名称: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
著者Galatsis, P.
登録日2010-07-01
公開日2011-08-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
3K4Z
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Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA
分子名称: 1-O-phosphono-beta-D-glucopyranose, Glycoside hydrolase family 9, MAGNESIUM ION, ...
著者Alahuhta, P.M, Xu, Q, Himmel, M.E, Lunin, V.V.
登録日2009-10-06
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
J.Mol.Biol., 402, 2010
3PE9
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Structures of Clostridium thermocellum CbhA fibronectin(III)-like modules
分子名称: Fibronectin(III)-like module, IODIDE ION
著者Alahuhta, P.M, Lunin, V.V.
登録日2010-10-25
公開日2011-11-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure and function of the Clostridium thermocellum cellobiohydrolase A X1-module repeat: enhancement through stabilization of the CbhA complex.
Acta Crystallogr.,Sect.D, 68, 2012
3P6B
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The crystal structure of CelK CBM4 from Clostridium thermocellum
分子名称: ACETATE ION, CALCIUM ION, Cellulose 1,4-beta-cellobiosidase, ...
著者Alahuhta, P.M, Luo, Y, Lunin, V.V.
登録日2010-10-11
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of CBM4 from Clostridium thermocellum cellulase K.
Acta Crystallogr.,Sect.F, 67, 2011
3PDD
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Structures of Clostridium thermocellum CbhA fibronectin(III)-like modules
分子名称: CALCIUM ION, CHLORIDE ION, Glycoside hydrolase, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2010-10-22
公開日2011-11-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure and function of the Clostridium thermocellum cellobiohydrolase A X1-module repeat: enhancement through stabilization of the CbhA complex.
Acta Crystallogr.,Sect.D, 68, 2012
3PDG
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Structures of Clostridium thermocellum CbhA fibronectin(III)-like modules
分子名称: Fibronectin(III)-like module, SODIUM ION
著者Alahuhta, P.M, Lunin, V.V.
登録日2010-10-22
公開日2011-11-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure and function of the Clostridium thermocellum cellobiohydrolase A X1-module repeat: enhancement through stabilization of the CbhA complex.
Acta Crystallogr.,Sect.D, 68, 2012
4WD4
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BU of 4wd4 by Molmil
Crystal structure of human HO1 H25R
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K.
登録日2014-09-06
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
4EX7
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Crystal structure of the alnumycin P phosphatase in complex with free phosphate
分子名称: AlnB, BORIC ACID, MAGNESIUM ION, ...
著者Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M.
登録日2012-04-30
公開日2013-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EX8
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Crystal structure of the prealnumycin C-glycosynthase AlnA
分子名称: AlnA, CALCIUM ION, CHLORIDE ION, ...
著者Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M.
登録日2012-04-30
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
5IAA
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Crystal structure of human UBA5 in complex with UFM1
分子名称: Ubiquitin-fold modifier 1, Ubiquitin-like modifier-activating enzyme 5, ZINC ION
著者Oweis, W, Padala, P, Wiener, R.
登録日2016-02-21
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex.
Cell Rep, 16, 2016
1G66
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ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION
分子名称: ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION
著者Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J.
登録日2000-11-03
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A.
J.Biol.Chem., 276, 2001
2VEW
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
分子名称: 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
2VEX
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
分子名称: MAGNESIUM ION, N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
2VEV
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BU of 2vev by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
分子名称: MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
2VEY
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BU of 2vey by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
分子名称: N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
2VEU
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BU of 2veu by Molmil
Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor
分子名称: N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
7NW1
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BU of 7nw1 by Molmil
Crystal structure of UFC1 in complex with UBA5
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-16
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
8CF9
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BU of 8cf9 by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with sclareol
分子名称: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol
著者Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W.
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
8CH8
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BU of 8ch8 by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
分子名称: Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
著者Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W.
登録日2023-02-07
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
To Be Published
8CCT
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Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A
分子名称: 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2
著者Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P.
登録日2023-01-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
6NZG
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Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
分子名称: (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ...
著者Pellock, S.J, Jariwala, P.B, Redinbo, M.R.
登録日2019-02-13
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
7NVJ
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Crystal structure of UFC1 Y110A & F121A
分子名称: GLYCEROL, Ubiquitin-fold modifier-conjugating enzyme 1
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-15
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
7NVK
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Crystal structure of UBA5 fragment fused to the N-terminus of UFC1
分子名称: Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier-conjugating enzyme 1
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-15
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
7Q8B
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BU of 7q8b by Molmil
Leishmania major actin filament in ADP-Pi state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION, ...
著者Kotila, T, Muniyandi, S, Lappalainen, P, Huiskonen, J.T.
登録日2021-11-11
公開日2022-05-18
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of rapid actin dynamics in the evolutionarily divergent Leishmania parasite.
Nat Commun, 13, 2022
7Q8C
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Leishmania major actin filament in ADP-state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Kotila, T, Muniyandi, S, Lappalainen, P, Huiskonen, J.T.
登録日2021-11-11
公開日2022-05-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Structural basis of rapid actin dynamics in the evolutionarily divergent Leishmania parasite.
Nat Commun, 13, 2022

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