3NS7
 
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3K4Z
 | | Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA | | Descriptor: | 1-O-phosphono-beta-D-glucopyranose, Glycoside hydrolase family 9, MAGNESIUM ION, ... | | Authors: | Alahuhta, P.M, Xu, Q, Himmel, M.E, Lunin, V.V. | | Deposit date: | 2009-10-06 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
J.Mol.Biol., 402, 2010
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3PE9
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3P6B
 | | The crystal structure of CelK CBM4 from Clostridium thermocellum | | Descriptor: | ACETATE ION, CALCIUM ION, Cellulose 1,4-beta-cellobiosidase, ... | | Authors: | Alahuhta, P.M, Luo, Y, Lunin, V.V. | | Deposit date: | 2010-10-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of CBM4 from Clostridium thermocellum cellulase K.
Acta Crystallogr.,Sect.F, 67, 2011
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3PDD
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3PDG
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4WD4
 | | Crystal structure of human HO1 H25R | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | | Deposit date: | 2014-09-06 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
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4EX7
 | | Crystal structure of the alnumycin P phosphatase in complex with free phosphate | | Descriptor: | AlnB, BORIC ACID, MAGNESIUM ION, ... | | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | | Deposit date: | 2012-04-30 | | Release date: | 2013-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4EX8
 | | Crystal structure of the prealnumycin C-glycosynthase AlnA | | Descriptor: | AlnA, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | | Deposit date: | 2012-04-30 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5IAA
 | | Crystal structure of human UBA5 in complex with UFM1 | | Descriptor: | Ubiquitin-fold modifier 1, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | | Authors: | Oweis, W, Padala, P, Wiener, R. | | Deposit date: | 2016-02-21 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex.
Cell Rep, 16, 2016
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1G66
 | | ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION | | Descriptor: | ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION | | Authors: | Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J. | | Deposit date: | 2000-11-03 | | Release date: | 2001-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A.
J.Biol.Chem., 276, 2001
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2VEW
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VEX
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VEV
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VEY
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VEU
 | | Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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7NW1
 | | Crystal structure of UFC1 in complex with UBA5 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | | Deposit date: | 2021-03-16 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
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8CF9
 | | Crystal structure of the human PXR ligand-binding domain in complex with sclareol | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
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8CH8
 | | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate | | Descriptor: | Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
To Be Published
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8CCT
 | | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
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6NZG
 | | Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine | | Descriptor: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ... | | Authors: | Pellock, S.J, Jariwala, P.B, Redinbo, M.R. | | Deposit date: | 2019-02-13 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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7NVJ
 | | Crystal structure of UFC1 Y110A & F121A | | Descriptor: | GLYCEROL, Ubiquitin-fold modifier-conjugating enzyme 1 | | Authors: | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | | Deposit date: | 2021-03-15 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
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7NVK
 | | Crystal structure of UBA5 fragment fused to the N-terminus of UFC1 | | Descriptor: | Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier-conjugating enzyme 1 | | Authors: | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | | Deposit date: | 2021-03-15 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
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7Q8B
 | | Leishmania major actin filament in ADP-Pi state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION, ... | | Authors: | Kotila, T, Muniyandi, S, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2021-11-11 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of rapid actin dynamics in the evolutionarily divergent Leishmania parasite.
Nat Commun, 13, 2022
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7Q8C
 | | Leishmania major actin filament in ADP-state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION | | Authors: | Kotila, T, Muniyandi, S, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2021-11-11 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structural basis of rapid actin dynamics in the evolutionarily divergent Leishmania parasite.
Nat Commun, 13, 2022
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