6M55
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![BU of 6m55 by Molmil](/molmil-images/mine/6m55) | Crystal structure of the E496A mutant of HsBglA in complex with 4-galactosyllactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase-like enzyme, ... | Authors: | Uehara, R, Iwamoto, R, Aoki, S, Yoshizawa, T, Takano, K, Matsumura, H, Tanaka, S.-i. | Deposit date: | 2020-03-10 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis. Protein Sci., 29, 2020
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1IXF
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![BU of 1ixf by Molmil](/molmil-images/mine/1ixf) | Crystal Structure of the K intermediate of bacteriorhodopsin | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ... | Authors: | Matsui, Y, Sakai, K, Murakami, M, Shiro, Y, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-06-20 | Release date: | 2002-12-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Specific Damage Induced by X-ray Radiation and Structural Changes in the Primary Photoreaction of Bacteriorhodopsin J.MOL.BIOL., 324, 2002
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6LP1
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![BU of 6lp1 by Molmil](/molmil-images/mine/6lp1) | Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei. | Descriptor: | CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase | Authors: | Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K. | Deposit date: | 2020-01-08 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei. Biochim Biophys Acta Bioenerg, 1861, 2020
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3VND
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![BU of 3vnd by Molmil](/molmil-images/mine/3vnd) | Crystal structure of tryptophan synthase alpha-subunit from the psychrophile Shewanella frigidimarina K14-2 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, SULFATE ION, Tryptophan synthase alpha chain | Authors: | Mitsuya, D, Tanaka, S, Matsumura, H, Takano, K, Urano, N, Ishida, M. | Deposit date: | 2012-01-12 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Strategy for cold adaptation of the tryptophan synthase alpha subunit from the psychrophile Shewanella frigidimarina K14-2: crystal structure and physicochemical properties J.Biochem., 155, 2014
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8UH8
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![BU of 8uh8 by Molmil](/molmil-images/mine/8uh8) | Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | Descriptor: | ORF1a polyprotein | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH5
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![BU of 8uh5 by Molmil](/molmil-images/mine/8uh5) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-06 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH9
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![BU of 8uh9 by Molmil](/molmil-images/mine/8uh9) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.067 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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1MSF
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![BU of 1msf by Molmil](/molmil-images/mine/1msf) | SOLUTION STRUCTURE OF A SPECIFIC DNA COMPLEX OF THE MYB DNA-BINDING DOMAIN WITH COOPERATIVE RECOGNITION HELICES | Descriptor: | C-Myb DNA-Binding Domain, DNA (5'-D(*AP*TP*GP*TP*GP*TP*GP*TP*CP*AP*GP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*AP*AP*CP*TP*GP*AP*CP*AP*CP*AP*CP*AP*T)-3') | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Sekikawa, A, Inoue, T, Kanai, H, Sarai, A, Ishii, S, Nishimura, Y. | Deposit date: | 1995-01-24 | Release date: | 1995-03-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a specific DNA complex of the Myb DNA-binding domain with cooperative recognition helices. Cell(Cambridge,Mass.), 79, 1994
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7Y8Q
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![BU of 7y8q by Molmil](/molmil-images/mine/7y8q) | Amyloid-beta assemblage on GM1-containing membranes | Descriptor: | Amyloid-beta protein 40 | Authors: | Yagi-Utsumi, M, Itoh, S.G, Okumura, H, Yanagisawa, K, Kato, K, Nishimura, K. | Deposit date: | 2022-06-24 | Release date: | 2023-07-05 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The Double-Layered Structure of Amyloid-beta Assemblage on GM1-Containing Membranes Catalytically Promotes Fibrillization. Acs Chem Neurosci, 14, 2023
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5XSO
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![BU of 5xso by Molmil](/molmil-images/mine/5xso) | Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221 | Descriptor: | FORMIC ACID, GLYCEROL, Response regulator FixJ | Authors: | Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-14 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.778 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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5XT2
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![BU of 5xt2 by Molmil](/molmil-images/mine/5xt2) | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-16 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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6M4F
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![BU of 6m4f by Molmil](/molmil-images/mine/6m4f) | Crystal structure of the E496A mutant of HsBglA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase-like enzyme, ... | Authors: | Uehara, R, Iwamoto, R, Aoki, S, Yoshizawa, T, Takano, K, Matsumura, H, Tanaka, S.-i. | Deposit date: | 2020-03-06 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis. Protein Sci., 29, 2020
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7YQA
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![BU of 7yqa by Molmil](/molmil-images/mine/7yqa) | Crystal structure of D-threonine aldolase from Chlamydomonas reinhardtii | Descriptor: | D-threonine aldolase, MAGNESIUM ION | Authors: | Hirato, Y, Goto, M, Mizobuchi, T, Muramatsu, H, Tanigawa, M, Nishimura, K. | Deposit date: | 2022-08-05 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of pyridoxal 5'-phosphate-bound D-threonine aldolase from Chlamydomonas reinhardtii. Acta Crystallogr.,Sect.F, 79, 2023
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3A0R
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![BU of 3a0r by Molmil](/molmil-images/mine/3a0r) | Crystal structure of histidine kinase ThkA (TM1359) in complex with response regulator protein TrrA (TM1360) | Descriptor: | MERCURY (II) ION, Response regulator, Sensor protein | Authors: | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | Deposit date: | 2009-03-24 | Release date: | 2009-10-20 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
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8FMV
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![BU of 8fmv by Molmil](/molmil-images/mine/8fmv) | |
8FHK
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5AZ2
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![BU of 5az2 by Molmil](/molmil-images/mine/5az2) | Crystal structure of the Fab fragment of 9E5, a murine monoclonal antibody specific for human epiregulin | Descriptor: | anti-human epiregulin antibody 9E5 Fab heavy chain, anti-human epiregulin antibody 9E5 Fab light chain | Authors: | Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T. | Deposit date: | 2015-09-16 | Release date: | 2015-12-09 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES J.Biol.Chem., 291, 2016
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4O6S
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![BU of 4o6s by Molmil](/molmil-images/mine/4o6s) | 1.32A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, Zinc Bound) | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2013-12-23 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa. Biochemistry, 53, 2014
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8DPR
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![BU of 8dpr by Molmil](/molmil-images/mine/8dpr) | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | Descriptor: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-16 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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8DOY
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![BU of 8doy by Molmil](/molmil-images/mine/8doy) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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8DOX
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![BU of 8dox by Molmil](/molmil-images/mine/8dox) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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5B37
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![BU of 5b37 by Molmil](/molmil-images/mine/5b37) | Crystal structure of L-tryptophan dehydrogenase from Nostoc punctiforme | Descriptor: | Tryptophan dehydrogenase | Authors: | Wakamatsu, T, Sakuraba, H, Kitamura, M, Hakumai, Y, Ohnishi, K, Ashiuchi, M, Ohshima, T. | Deposit date: | 2016-02-11 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Insights into l-Tryptophan Dehydrogenase from a Photoautotrophic Cyanobacterium, Nostoc punctiforme. Appl. Environ. Microbiol., 83, 2017
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5B56
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![BU of 5b56 by Molmil](/molmil-images/mine/5b56) | Crystal structure of HIV-1 VPR C-Terminal domain and DIBB-M-Importin-Alpha2 complex | Descriptor: | Importin subunit alpha-1, Protein Vpr | Authors: | Miyatake, H, Sanjoh, A, Matusda, G, Murakami, T, Murakami, H, Hagiwara, K, Yokoyama, M, Sato, H, Miyamoto, Y, Dohmae, N, Aida, Y. | Deposit date: | 2016-04-25 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Mechanism of HIV-1 Vpr for Binding to Importin-alpha J.Mol.Biol., 428, 2016
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1GOB
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![BU of 1gob by Molmil](/molmil-images/mine/1gob) | COOPERATIVE STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY INSERTION OF GLY-80B AND GLY-77-> ALA SUBSTITUTION | Descriptor: | RIBONUCLEASE H | Authors: | Ishikawa, K, Kimura, S, Nakamura, H, Morikawa, K, Kanaya, S. | Deposit date: | 1993-05-10 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cooperative stabilization of Escherichia coli ribonuclease HI by insertion of Gly-80b and Gly-77-->Ala substitution. Biochemistry, 32, 1993
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1PRU
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![BU of 1pru by Molmil](/molmil-images/mine/1pru) | PURINE REPRESSOR DNA-BINDING DOMAIN DNA BINDING | Descriptor: | PURINE REPRESSOR | Authors: | Nagadoi, A, Morikawa, S, Nakamura, H, Enari, M, Kobayashi, K, Yamamoto, H, Sampei, G, Mizobuchi, K, Schumacher, M.A, Brennan, R.G, Nishimura, Y. | Deposit date: | 1995-05-08 | Release date: | 1996-03-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural comparison of the free and DNA-bound forms of the purine repressor DNA-binding domain. Structure, 3, 1995
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