2J14
 
 | | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | | Descriptor: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | | Authors: | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | | Deposit date: | 2006-08-08 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2
Bioorg.Med.Chem.Lett., 16, 2006
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2ICS
 | | Crystal structure of an adenine deaminase | | Descriptor: | ADENINE, Adenine Deaminase, ZINC ION | | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-13 | | Release date: | 2006-10-17 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an adenine deaminase
TO BE PUBLISHED
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2VDV
 | | Structure of trm8, m7G methylation enzyme | | Descriptor: | S-ADENOSYLMETHIONINE, TRNA (GUANINE-N(7)-)-METHYLTRANSFERASE | | Authors: | Leulliot, N, Chaillet, M, Durand, D, Ulryck, N, Blondeau, K, Van Tilbeurgh, H. | | Deposit date: | 2007-10-11 | | Release date: | 2007-12-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Yeast tRNA M7G Methylation Complex.
Structure, 16, 2008
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2WB6
 | | Crystal structure of AFV1-102, a protein from the Acidianus Filamentous Virus 1 | | Descriptor: | AFV1-102, CHLORIDE ION | | Authors: | Keller, J, Leulliot, N, Collinet, B, Campanacci, V, Cambillau, C, Pranghisvilli, D, van Tilbeurgh, H. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Afv1-102, a Protein from the Acidianus Filamentous Virus 1.
Protein Sci., 18, 2009
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2W9M
 | | Structure of family X DNA polymerase from Deinococcus radiodurans | | Descriptor: | MERCURY (II) ION, POLYMERASE X, ZINC ION | | Authors: | Leulliot, N, Cladiere, L, Lecointe, F, Durand, D, Hubscher, U, van Tilbeurgh, H. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | The Family X DNA Polymerase from Deinococcus Radioduran Adopts a Non-Standard Extended Conformation.
J.Biol.Chem., 284, 2009
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7SZ7
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha. "tips-juxtaposed" conformation | | Descriptor: | Epidermal growth factor receptor, Transforming growth factor alpha | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SZ1
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SYD
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF "tips-juxtaposed" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SZ5
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha "tips-separated" conformation | | Descriptor: | Epidermal growth factor receptor, Transforming growth factor alpha | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SYE
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF. "tips-separated" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SZ0
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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4UUQ
 | | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | | Deposit date: | 2014-07-30 | | Release date: | 2015-01-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
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2JPU
 | | solution structure of NESG target SsR10, Orf c02003 protein | | Descriptor: | Orf c02003 protein | | Authors: | Wu, Y, Singarapu, K.K, Zhang, Q, Eletski, A, Xu, D, Sukumaran, D, Parish, D, Wang, D, Jiang, M, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-05-23 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of NESG target SsR10, Orf c02003 protein
To be Published
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2JVM
 | | Solution NMR structure of Rhodobacter sphaeroides protein RHOS4_26430. Northeast Structural Genomics Consortium target RhR95 | | Descriptor: | Uncharacterized protein | | Authors: | Eletsky, A, Sukumaran, D, Zhang, Q, Parish, D, Xu, D, Wang, H, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-21 | | Release date: | 2007-10-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Rhodobacter sphaeroides protein RHOS4_26430.
To be Published
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2K5G
 | | Solution NMR structure of protein encoded by gene BPP1335 from Bordetella parapertussis: Northeast Structural Genomics Target BpR195 | | Descriptor: | uncharacterized protein | | Authors: | Singarapu, K, Eletsky, A, Sathyamoorthy, B, Sukumaran, D, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-27 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of protein encoded by gene BPP1335 from
Bordetella parapertussis: Northeast Structural Genomics Target BpR195
To be Published
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2JR5
 | | Solution structure of UPF0350 protein VC_2471. Northeast Structural Genomics Target VcR36 | | Descriptor: | UPF0350 protein VC_2471 | | Authors: | Wu, Y, Parish, D, Singarapu, K.K, Sukumaran, D, Eletski, A, Shastry, R, Nwosu, C, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-20 | | Release date: | 2007-07-24 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of UPF0350 protein VC_2471.
To be Published
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2JZ2
 | | Solution NMR structure of Ssl0352 protein from Synechocystis sp. PCC 6803. Northeast Structural Genomics Consortium target SgR42 | | Descriptor: | Ssl0352 protein | | Authors: | Eletsky, A, Sukumaran, D, Wang, D, Hamilton, K, Foote, E.L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-12-22 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of Ssl0352 protein from Synechocystis sp.
To be Published
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2JY9
 | | NMR structure of putative tRNA hydrolase domain from Salmonella typhimurium. NorthEast Structural Genomics Consortium target StR220 | | Descriptor: | Putative tRNA hydrolase domain | | Authors: | Singarapu, K.K, Wu, Y, Sukumaran, D, Eletsky, A, Zeri, A, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-01 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structure of putative tRNA hydrolase domain from Salmonella typhimurium.
To be Published
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2JS5
 | | NMR Structure of protein Q60C73_METCA. Northeast Structural Genomics Consortium target McR1 | | Descriptor: | Uncharacterized protein | | Authors: | Singarapu, K.K, Wu, Y, Eletsky, A, Sukumaran, D, Parish, D, Chen, C.X, Nwosu, C, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of protein Q60C73_METCA.
To be Published
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4UWK
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ... | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4UWL
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4UWH
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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2JR6
 | | Solution structure of UPF0434 protein NMA0874. Northeast Structural Genomics Target MR32 | | Descriptor: | UPF0434 protein NMA0874 | | Authors: | Ghosh, A, Singarapu, K.K, Wu, Y, Liu, G, Sukumaran, D, Chen, C.X, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-20 | | Release date: | 2007-07-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of UPF0434 protein NMA0874.
To be Published
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2JS3
 | | NMR Structure of protein Q6N9A4_RHOPA. Northeast Structural Genomics Consortium target RpT8 | | Descriptor: | Uncharacterized protein | | Authors: | Singarapu, K.K, Wu, Y, Yee, A, Eletsky, A, Sukumaran, D, Garcia, M, Xiao, R, Bansal, S, Baran, M.C, Montelione, G.T, James, P.H, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structure of protein Q6N9A4_RHOPA.
To be Published
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2K4Y
 | | NMR Structure of FeoA-like protein from Clostridium acetobutylicum: Northeast Structural Genomics Consortium Target CaR178 | | Descriptor: | FeoA-like protein | | Authors: | Singarapu, K, Wu, Y, Hua, J, Sukumaran, D, Zhao, L, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-20 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of FeoA-like protein from Clostridium acetobutylicum: Northeast Structural Genomics Consortium Target CaR178
To be Published
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