4I20
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![BU of 4i20 by Molmil](/molmil-images/mine/4i20) | Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain | Descriptor: | Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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4I24
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![BU of 4i24 by Molmil](/molmil-images/mine/4i24) | Structure of T790M EGFR kinase domain co-crystallized with dacomitinib | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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5JMT
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![BU of 5jmt by Molmil](/molmil-images/mine/5jmt) | Crystal structure of Zika virus NS3 helicase | Descriptor: | NS3 helicase | Authors: | Tian, H, Ji, X, Yang, X, Xie, W, Yang, K, Chen, C, Wu, C, Chi, H, Mu, Z, Wang, Z, Yang, H. | Deposit date: | 2016-04-29 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | The crystal structure of Zika virus helicase: basis for antiviral drug design Protein Cell, 7, 2016
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7SH7
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![BU of 7sh7 by Molmil](/molmil-images/mine/7sh7) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
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7R81
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![BU of 7r81 by Molmil](/molmil-images/mine/7r81) | Structure of the translating Neurospora crassa ribosome arrested by cycloheximide | Descriptor: | 18S rRNA, 26S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Shen, L, Su, Z, Yang, K, Wu, C, Becker, T, Bell-Pedersen, D, Zhang, J, Sachs, M.S. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the translating Neurospora ribosome arrested by cycloheximide Proc.Natl.Acad.Sci.USA, 118, 2021
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2AMP
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![BU of 2amp by Molmil](/molmil-images/mine/2amp) | Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-10 | Release date: | 2005-09-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2D2D
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![BU of 2d2d by Molmil](/molmil-images/mine/2d2d) | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | Descriptor: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | Deposit date: | 2005-09-08 | Release date: | 2005-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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1WNO
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![BU of 1wno by Molmil](/molmil-images/mine/1wno) | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | Authors: | Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z. | Deposit date: | 2004-08-07 | Release date: | 2005-03-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 To be Published
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5EU8
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![BU of 5eu8 by Molmil](/molmil-images/mine/5eu8) | Structure of FIPV main protease in complex with dual inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ... | Authors: | Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H. | Deposit date: | 2015-11-18 | Release date: | 2015-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors J.Virol., 90, 2015
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5GWZ
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![BU of 5gwz by Molmil](/molmil-images/mine/5gwz) | The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease | Authors: | Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H. | Deposit date: | 2016-09-14 | Release date: | 2017-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus J. Med. Chem., 60, 2017
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5GXJ
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![BU of 5gxj by Molmil](/molmil-images/mine/5gxj) | Zika Virus NS2B-NS3 protease | Descriptor: | FLAVIVIRUS_NS2B,LINKER,Peptidase S7 | Authors: | Yang, H, Chen, X, Ji, X, Xiong, Y, Yang, K. | Deposit date: | 2016-09-18 | Release date: | 2017-05-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Viral protease activation mechanism To Be Published
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5GWY
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![BU of 5gwy by Molmil](/molmil-images/mine/5gwy) | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, main protease | Authors: | Wang, F, Chen, C, Tan, W, Yang, K, Yang, H. | Deposit date: | 2016-09-14 | Release date: | 2017-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.852 Å) | Cite: | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design. Sci Rep, 6, 2016
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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1WOF
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![BU of 1wof by Molmil](/molmil-images/mine/1wof) | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | Deposit date: | 2004-08-18 | Release date: | 2005-08-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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1S17
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![BU of 1s17 by Molmil](/molmil-images/mine/1s17) | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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5Z0V
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![BU of 5z0v by Molmil](/molmil-images/mine/5z0v) | Structural insight into the Zika virus capsid encapsulating the viral genome | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | Deposit date: | 2017-12-21 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome. Cell Res., 28, 2018
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5Z0R
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![BU of 5z0r by Molmil](/molmil-images/mine/5z0r) | Structural insight into the Zika virus capsid encapsulating the viral genome | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | Deposit date: | 2017-12-20 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome. Cell Res., 28, 2018
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-13 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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2AMD
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![BU of 2amd by Molmil](/molmil-images/mine/2amd) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | Descriptor: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-09 | Release date: | 2005-09-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2AMQ
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![BU of 2amq by Molmil](/molmil-images/mine/2amq) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-10 | Release date: | 2005-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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5OLA
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![BU of 5ola by Molmil](/molmil-images/mine/5ola) | Structure of mitochondrial transcription elongation complex in complex with elongation factor TEFM | Descriptor: | DNA (30-MER), DNA (5'-D(P*AP*TP*GP*GP*TP*GP*TP*AP*AP*CP*GP*CP*CP*AP*GP*AP*CP*GP*AP*AP*C)-3'), DNA-directed RNA polymerase, ... | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.904 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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5OL8
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![BU of 5ol8 by Molmil](/molmil-images/mine/5ol8) | Structure of human mitochondrial transcription elongation factor (TEFM) C-terminal domain | Descriptor: | GLYCEROL, Transcription elongation factor, mitochondrial | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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5OL9
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![BU of 5ol9 by Molmil](/molmil-images/mine/5ol9) | Structure of human mitochondrial transcription elongation factor (TEFM) N-terminal domain | Descriptor: | ACETATE ION, Transcription elongation factor, mitochondrial | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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7RF9
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![BU of 7rf9 by Molmil](/molmil-images/mine/7rf9) | O2-, PLP-dependent desaturase Plu4 intermediate-bound enzyme | Descriptor: | (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-07-13 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.926 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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7RGB
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![BU of 7rgb by Molmil](/molmil-images/mine/7rgb) | O2-, PLP-dependent desaturase Plu4 product-bound enzyme | Descriptor: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-07-14 | Release date: | 2021-10-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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