1D4U
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![BU of 1d4u by Molmil](/molmil-images/mine/1d4u) | INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR PROTEIN XPA WITH RPA70 AND DNA: CHEMICAL SHIFT MAPPING AND 15N NMR RELAXATION STUDIES | Descriptor: | NUCLEOTIDE EXCISION REPAIR PROTEIN XPA (XPA-MBD), ZINC ION | Authors: | Buchko, G.W, Daughdrill, G.W, de Lorimier, R, Rao, S, Isern, N.G, Lingbeck, J, Taylor, J, Wold, M.S, Gochin, M, Spicer, L.D, Lowry, D.F, Kennedy, M.A. | Deposit date: | 1999-10-06 | Release date: | 1999-10-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of human nucleotide excision repair protein XPA with DNA and RPA70 Delta C327: chemical shift mapping and 15N NMR relaxation studies. Biochemistry, 38, 1999
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5OEO
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![BU of 5oeo by Molmil](/molmil-images/mine/5oeo) | Solution structure of the complex of TRPV5(655-725) with a Calmodulin E32Q/E68Q double mutant | Descriptor: | CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 5 | Authors: | Vuister, G.W, Bokhovchuk, F.M, Bate, N, Kovalevskaya, N, Goult, B.T, Spronk, C.A.E.M. | Deposit date: | 2017-07-09 | Release date: | 2018-04-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Structural Basis of Calcium-Dependent Inactivation of the Transient Receptor Potential Vanilloid 5 Channel. Biochemistry, 57, 2018
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1JVO
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![BU of 1jvo by Molmil](/molmil-images/mine/1jvo) | Azurin dimer, crosslinked via disulfide bridge | Descriptor: | Azurin, COPPER (II) ION | Authors: | van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W. | Deposit date: | 2001-08-30 | Release date: | 2002-01-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Dramatic modulation of electron transfer in protein complexes by crosslinking Nat.Struct.Biol., 9, 2002
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2IDF
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![BU of 2idf by Molmil](/molmil-images/mine/2idf) | P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer | Descriptor: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ... | Authors: | Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W. | Deposit date: | 2006-09-15 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface To be Published
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1ED3
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![BU of 1ed3 by Molmil](/molmil-images/mine/1ed3) | CRYSTAL STRUCTURE OF RAT MINOR HISTOCOMPATIBILITY ANTIGEN COMPLEX RT1-AA/MTF-E. | Descriptor: | BETA-2-MICROGLOBULIN, CLASS I MAJOR HISTOCOMPATIBILITY ANTIGEN RT1-AA, PEPTIDE MTF-E (13N3E) | Authors: | Speir, J.A, Stevens, J, Joly, E, Butcher, G.W, Wilson, I.A. | Deposit date: | 2000-01-26 | Release date: | 2001-02-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Two different, highly exposed, bulged structures for an unusually long peptide bound to rat MHC class I RT1-Aa. Immunity, 14, 2001
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9EXW
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![BU of 9exw by Molmil](/molmil-images/mine/9exw) | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXX
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![BU of 9exx by Molmil](/molmil-images/mine/9exx) | Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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5UIW
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![BU of 5uiw by Molmil](/molmil-images/mine/5uiw) | Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, C-C chemokine receptor type 5,Rubredoxin chimera, C-C motif chemokine 5, ... | Authors: | Zheng, Y, Qin, L, Han, G.W, Gustavsson, M, Kawamura, T, Stevens, R.C, Cherezov, V, Kufareva, I, Handel, T.M. | Deposit date: | 2017-01-15 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV. Immunity, 46, 2017
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5V57
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![BU of 5v57 by Molmil](/molmil-images/mine/5v57) | 3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | Authors: | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | Deposit date: | 2017-03-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand. Nat Commun, 8, 2017
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2IWE
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![BU of 2iwe by Molmil](/molmil-images/mine/2iwe) | Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin | Descriptor: | 1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE), AZURIN, ZINC ION | Authors: | De Jongh, T.E, Van Roon, A.M.M, Prudencio, M, Ubbink, M, Canters, G.W. | Deposit date: | 2006-06-29 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Click-Chemistry with an Active Site Variant of Azurin Eur.J.Inorg.Chem., 2006, 2006
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4WOP
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![BU of 4wop by Molmil](/molmil-images/mine/4wop) | Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, SULFATE ION | Authors: | Salaemae, W, Yap, M.Y, Wegener, K.L, Booker, G.W, Wilce, M.C.J, Polyak, S.W. | Deposit date: | 2014-10-16 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase. Tuberculosis (Edinb), 95, 2015
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1CPF
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![BU of 1cpf by Molmil](/molmil-images/mine/1cpf) | A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Miller, M.A, Han, G.W, Kraut, J. | Deposit date: | 1994-08-18 | Release date: | 1994-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase. Proc.Natl.Acad.Sci.USA, 91, 1994
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1CPD
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7TH8
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![BU of 7th8 by Molmil](/molmil-images/mine/7th8) | Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds | Descriptor: | Nodule cysteine-rich protein 13 | Authors: | Buchko, G.W, Zhou, M, Shah, D.M, Velivelli, S.L.S. | Deposit date: | 2022-01-10 | Release date: | 2022-02-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds To Be Published
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7TVL
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![BU of 7tvl by Molmil](/molmil-images/mine/7tvl) | Viral AMG chitosanase V-Csn, apo structure | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | Deposit date: | 2022-02-05 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
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7TVN
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![BU of 7tvn by Molmil](/molmil-images/mine/7tvn) | Viral AMG chitosanase V-Csn, D148N mutant | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn D148N mutant | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | Deposit date: | 2022-02-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
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7TVO
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![BU of 7tvo by Molmil](/molmil-images/mine/7tvo) | Viral AMG chitosanase V-Csn, E157Q mutant | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn E157Q mutant | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | Deposit date: | 2022-02-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
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6BQH
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![BU of 6bqh by Molmil](/molmil-images/mine/6bqh) | Crystal structure of 5-HT2C in complex with ritanserin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | Deposit date: | 2017-11-27 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 2018
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1E5N
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![BU of 1e5n by Molmil](/molmil-images/mine/1e5n) | E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | Deposit date: | 2000-07-27 | Release date: | 2000-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A. Proteins, 41, 2000
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5T1A
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![BU of 5t1a by Molmil](/molmil-images/mine/5t1a) | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | Authors: | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | Deposit date: | 2016-08-18 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature, 540, 2016
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5TGZ
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![BU of 5tgz by Molmil](/molmil-images/mine/5tgz) | Crystal Structure of the Human Cannabinoid Receptor CB1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | Authors: | Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2016-09-28 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB1. Cell, 167, 2016
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5TX8
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![BU of 5tx8 by Molmil](/molmil-images/mine/5tx8) | |
5TUD
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![BU of 5tud by Molmil](/molmil-images/mine/5tud) | Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody | Descriptor: | 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ... | Authors: | Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V. | Deposit date: | 2016-11-05 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6B73
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![BU of 6b73 by Molmil](/molmil-images/mine/6b73) | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | Deposit date: | 2017-10-03 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
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8DDY
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![BU of 8ddy by Molmil](/molmil-images/mine/8ddy) | Helical rods of far-red light-absorbing allophycocyanin in Synechococcus sp. | Descriptor: | Allophycocyanin subunit alpha, Allophycocyanin subunit beta, CHLORIDE ION, ... | Authors: | Gisriel, C.J, Shen, G.S, Soulier, N.T, Flesher, D.A, Brudvig, G.W, Bryant, D.A. | Deposit date: | 2022-06-19 | Release date: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Helical allophycocyanin nanotubes absorb far-red light in a thermophilic cyanobacterium. Sci Adv, 9, 2023
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