3CLV
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![BU of 3clv by Molmil](/molmil-images/mine/3clv) | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ... | Authors: | Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-20 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c To be Published
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6X3R
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![BU of 6x3r by Molmil](/molmil-images/mine/6x3r) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4P
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![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4M
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![BU of 6x4m by Molmil](/molmil-images/mine/6x4m) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3) | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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1TH2
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![BU of 1th2 by Molmil](/molmil-images/mine/1th2) | crystal structure of NADPH depleted bovine liver catalase complexed with azide | Descriptor: | AZIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-06-01 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of bovine liver catalase TO BE PUBLISHED
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2JPU
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![BU of 2jpu by Molmil](/molmil-images/mine/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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1TH3
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![BU of 1th3 by Molmil](/molmil-images/mine/1th3) | Crystal structure of NADPH depleted bovine live catalase complexed with cyanide | Descriptor: | CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-06-01 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of bovine liver catalase TO BE PUBLISHED
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1TGU
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![BU of 1tgu by Molmil](/molmil-images/mine/1tgu) | The crystal structure of bovine liver catalase without NADPH | Descriptor: | Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-05-31 | Release date: | 2005-07-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of bovine liver catalase TO BE PUBLISHED
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2JVM
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![BU of 2jvm by Molmil](/molmil-images/mine/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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2HG7
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![BU of 2hg7 by Molmil](/molmil-images/mine/2hg7) | Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355 | Descriptor: | Phage-like element PBSX protein xkdW | Authors: | Liu, G, Parish, D, Xu, D, Atreya, H, Sukumaran, D, Ho, C.K, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-26 | Release date: | 2006-08-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355 TO BE PUBLISHED
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2HFI
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![BU of 2hfi by Molmil](/molmil-images/mine/2hfi) | Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213 | Descriptor: | Hypothetical protein yppE | Authors: | Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-23 | Release date: | 2006-07-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213 TO BE PUBLISHED
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1PV1
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![BU of 1pv1 by Molmil](/molmil-images/mine/1pv1) | Crystal Structure Analysis of Yeast Hypothetical Protein: YJG8_YEAST | Descriptor: | Hypothetical 33.9 kDa esterase in SMC3-MRPL8 intergenic region | Authors: | Millard, C, Kumaran, D, Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-06-26 | Release date: | 2004-11-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase. Biochemistry, 47, 2008
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2JNA
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![BU of 2jna by Molmil](/molmil-images/mine/2jna) | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109 | Descriptor: | Putative secreted protein | Authors: | Eletsky, A, Parish, D, Liu, G, Sukumaran, D, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-31 | Release date: | 2007-02-06 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109 To be Published
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2JR5
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![BU of 2jr5 by Molmil](/molmil-images/mine/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
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![BU of 2jz2 by Molmil](/molmil-images/mine/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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2HGA
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![BU of 2hga by Molmil](/molmil-images/mine/2hga) | Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A | Descriptor: | Conserved protein MTH1368 | Authors: | Liu, G, Lin, Y, Parish, D, Shen, Y, Sukumaran, D, Yee, A, Semesi, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-26 | Release date: | 2006-07-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A TO BE PUBLISHED
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3BFK
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![BU of 3bfk by Molmil](/molmil-images/mine/3bfk) | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11 | Authors: | Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-21 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP. To be Published
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2KPJ
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![BU of 2kpj by Molmil](/molmil-images/mine/2kpj) | Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A | Descriptor: | SOS-response transcriptional repressor, LexA | Authors: | Wu, Y, Eletsky, A, Lee, D, Ghosh, A, Buchwald, W, Zhang, Q, Janjua, H, Garcia, E, Nair, R, Sukumaran, D, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-16 | Release date: | 2009-11-17 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A To be Published
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2JS4
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![BU of 2js4 by Molmil](/molmil-images/mine/2js4) | Solution NMR Structure of Bordetella bronchiseptica protein BB2007. Northeast Structural Genomics Consortium target BoR54 | Descriptor: | UPF0434 protein BB2007 | Authors: | Eletsky, A, Sukumaran, D, Wu, Y, Singarapu, K, Parish, D, Xu, D, Wang, D, Nwosu, C, Cunningham, K, 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: | 2007-07-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of Bordetella bronchiseptica protein BB2007. To be Published
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3BCV
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![BU of 3bcv by Molmil](/molmil-images/mine/3bcv) | |
3BZW
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![BU of 3bzw by Molmil](/molmil-images/mine/3bzw) | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron | Descriptor: | ACETATE ION, Putative lipase, SULFATE ION | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-18 | Release date: | 2008-02-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron. To be Published
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2K5G
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![BU of 2k5g by Molmil](/molmil-images/mine/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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2KAT
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![BU of 2kat by Molmil](/molmil-images/mine/2kat) | Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206 | Descriptor: | uncharacterized protein | Authors: | Wu, Y, Mills, J.L, Wang, D, Jiang, M, Foote, E.L, Xiao, R, Sathyamoorthy, B, Sukumaran, D, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-11-14 | Release date: | 2008-12-16 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206 To be Published
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2JY9
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![BU of 2jy9 by Molmil](/molmil-images/mine/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
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![BU of 2js5 by Molmil](/molmil-images/mine/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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