1QOY
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![BU of 1qoy by Molmil](/molmil-images/mine/1qoy) | E.coli Hemolysin E (HlyE, ClyA, SheA) | Descriptor: | HEMOLYSIN E, SULFATE ION | Authors: | Wallace, A.J, Stillman, T.J, Atkins, A, Jamieson, S.J, Bullough, P.A, Green, J, Artymiuk, P.J. | Deposit date: | 1999-11-25 | Release date: | 2000-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | E. Coli Hemolysin E (Hlye, Clya, Shea): X-Ray Crystal Structure of the Toxin and Observation of Membrane Pores by Electron Microscopy Cell(Cambridge,Mass.), 100, 2000
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1QXK
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![BU of 1qxk by Molmil](/molmil-images/mine/1qxk) | Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-09-08 | Release date: | 2003-10-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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4JLG
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![BU of 4jlg by Molmil](/molmil-images/mine/4jlg) | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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4JFQ
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![BU of 4jfq by Molmil](/molmil-images/mine/4jfq) | A2 HLA complex with L8A heteroclitic variant of Melanoma peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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4JSB
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![BU of 4jsb by Molmil](/molmil-images/mine/4jsb) | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX | Descriptor: | Enoyl-CoA hydratase, SULFATE ION | Authors: | Mikolajczak, K, Porebski, P.J, Cooper, D.R, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX TO BE PUBLISHED
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4JDO
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![BU of 4jdo by Molmil](/molmil-images/mine/4jdo) | Secreted chlamydial protein pgp3, coiled-coil deletion | Descriptor: | SODIUM ION, Virulence plasmid protein pGP3-D | Authors: | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | Deposit date: | 2013-02-25 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3. J.Biol.Chem., 288, 2013
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4JXR
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![BU of 4jxr by Molmil](/molmil-images/mine/4jxr) | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti in complex with AcCoA | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, CITRATE ANION, ... | Authors: | Majorek, K.A, Cooper, D.R, Porebski, P.J, Konina, K, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-28 | Release date: | 2013-05-15 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti in complex with AcCoA To be Published
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4JDT
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![BU of 4jdt by Molmil](/molmil-images/mine/4jdt) | Crystal structure of chimeric germ-line precursor of NIH45-46 Fab in complex with gp120 of 93TH057 HIV-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Scharf, L, Diskin, R, Bjorkman, P.J. | Deposit date: | 2013-02-25 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JFE
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![BU of 4jfe by Molmil](/molmil-images/mine/4jfe) | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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4JXU
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![BU of 4jxu by Molmil](/molmil-images/mine/4jxu) | Structure of aminotransferase ilvE2 from Sinorhizobium meliloti complexed with PLP | Descriptor: | Putative aminotransferase | Authors: | Cooper, D.R, Cymborowski, M.T, Majorek, K.A, Niedzialkowska, E, Porebski, P.J, Stead, M, Hammonds, J, Seidel, R, Ahmed, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-28 | Release date: | 2013-05-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of aminotransferase ilvE2 from Sinorhizobium meliloti complexed with PLP To be Published
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4K38
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![BU of 4k38 by Molmil](/molmil-images/mine/4k38) | Native anSMEcpe with bound AdoMet and Kp18Cys peptide | Descriptor: | Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ... | Authors: | Goldman, P.J, Drennan, C.L. | Deposit date: | 2013-04-10 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification. Proc.Natl.Acad.Sci.USA, 110, 2013
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6HS6
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![BU of 6hs6 by Molmil](/molmil-images/mine/6hs6) | C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | Type VI secretion protein ImpA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-09-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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6HWL
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![BU of 6hwl by Molmil](/molmil-images/mine/6hwl) | Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Manso, J.A, Pereira, P.J.B. | Deposit date: | 2018-10-12 | Release date: | 2019-05-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity. Mbio, 10, 2019
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6I22
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![BU of 6i22 by Molmil](/molmil-images/mine/6i22) | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | Aureochrome1-like protein, FLAVIN MONONUCLEOTIDE | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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6I21
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![BU of 6i21 by Molmil](/molmil-images/mine/6i21) | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | 1,2-ETHANEDIOL, Aureochrome1-like protein, CHLORIDE ION, ... | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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6I24
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![BU of 6i24 by Molmil](/molmil-images/mine/6i24) | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, ACETATE ION, ... | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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7ZDQ
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![BU of 7zdq by Molmil](/molmil-images/mine/7zdq) | Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E. | Deposit date: | 2022-03-29 | Release date: | 2022-05-18 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding. Plos Pathog., 18, 2022
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5BTT
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![BU of 5btt by Molmil](/molmil-images/mine/5btt) | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | Descriptor: | GLYCEROL, Green fluorescent protein, SULFATE ION | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | Deposit date: | 2015-06-03 | Release date: | 2016-07-13 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle. Chem Sci, 7, 2016
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5AR2
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![BU of 5ar2 by Molmil](/molmil-images/mine/5ar2) | RIP2 Kinase Catalytic Domain (1 - 310) | Descriptor: | CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-23 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5TDO
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![BU of 5tdo by Molmil](/molmil-images/mine/5tdo) | |
5AR7
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![BU of 5ar7 by Molmil](/molmil-images/mine/5ar7) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea | Descriptor: | 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5TIV
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![BU of 5tiv by Molmil](/molmil-images/mine/5tiv) | Schistosoma haematobium (Blood Fluke) Sulfotransferase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | Authors: | Taylor, A.B, Hart, P.J. | Deposit date: | 2016-10-03 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy. J. Biol. Chem., 292, 2017
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5TEY
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![BU of 5tey by Molmil](/molmil-images/mine/5tey) | Human METTL3-METTL14 complex | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human METTL3-METTL14 complex to be published
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6IQ4
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![BU of 6iq4 by Molmil](/molmil-images/mine/6iq4) | Nucleosome core particle cross-linked with a hetero-binuclear molecule possessing RAPTA and gold(I) 4-(diphenylphosphino)benzoic acid groups. | Descriptor: | 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ... | Authors: | DeFalco, L, Batchelor, L.K, Adhireksan, Z, Dyson, P.J, Davey, C.A. | Deposit date: | 2018-11-06 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crosslinking Allosteric Sites on the Nucleosome. Angew.Chem.Int.Ed.Engl., 58, 2019
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6I23
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![BU of 6i23 by Molmil](/molmil-images/mine/6i23) | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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