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6S0Q
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BU of 6s0q by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1E
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BU of 6s1e by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
6DDK
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BU of 6ddk by Molmil
Crystal structure of the double mutant (D52N/R367Q) of the full-length NT5C2 in the basal state
Descriptor: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DE1
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BU of 6de1 by Molmil
Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the active state
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DDH
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BU of 6ddh by Molmil
Crystal structure of the double mutant (D52N/R367Q) of NT5C2-537X in the active state, Northeast Structural Genomics Target
Descriptor: Cytosolic purine 5'-nucleotidase, INOSINIC ACID
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DE0
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BU of 6de0 by Molmil
Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the active state
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DDL
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BU of 6ddl by Molmil
Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state
Descriptor: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DE2
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BU of 6de2 by Molmil
Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ...
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DDQ
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BU of 6ddq by Molmil
Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the basal state
Descriptor: 1,2-ETHANEDIOL, Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
2VEY
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BU of 2vey by Molmil
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
2VEW
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BU of 2vew by Molmil
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
2VEV
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BU of 2vev by Molmil
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
2VEX
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BU of 2vex by Molmil
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
2VEU
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BU of 2veu by Molmil
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
4K8O
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BU of 4k8o by Molmil
CRYSTAL STRUCTURE OF THE ATPASE DOMAIN OF TAP1 WITH ATP (D645N, D651A MUTANT)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Antigen peptide transporter 1, CITRIC ACID, ...
Authors:Vakkasoglu, A.S, Grossmann, N, Hulpke, S, Abele, R, Tampe, R, Gaudet, R.
Deposit date:2013-04-18
Release date:2014-09-03
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic determinants of the directionality and energetics of active export by a heterodimeric ABC transporter.
Nat Commun, 5, 2014
7Y4N
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BU of 7y4n by Molmil
Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos
Descriptor: Growth factor receptor-bound protein 2
Authors:Pooppadi, M.S, Ikeya, T, Sugasawa, H, Watanabe, R, Mishima, M, Inomata, K, Ito, Y.
Deposit date:2022-06-15
Release date:2022-08-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos.
Biochem.Biophys.Res.Commun., 625, 2022
3C87
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BU of 3c87 by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of enterobactin
Descriptor: Enterochelin esterase, PHOSPHATE ION, SODIUM ION
Authors:Kim, Y, Maltseva, N, Abergel, R, Raymond, K, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-11
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
3C8H
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BU of 3c8h by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-serine
Descriptor: Enterochelin esterase
Authors:Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
3C8D
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BU of 3c8d by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-glycine
Descriptor: CITRIC ACID, Enterochelin esterase
Authors:Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-11
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
2CM8
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BU of 2cm8 by Molmil
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
Descriptor: 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CMB
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BU of 2cmb by Molmil
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
Descriptor: N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, octyl beta-D-glucopyranoside
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CM7
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BU of 2cm7 by Molmil
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
Descriptor: ISOTHIAZOLIDINONE ANALOG, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CMA
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BU of 2cma by Molmil
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
Descriptor: N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CM3
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BU of 2cm3 by Molmil
Structure of Protein Tyrosine Phosphatase 1B (C2)
Descriptor: CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006

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