3BMZ
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![BU of 3bmz by Molmil](/molmil-images/mine/3bmz) | Violacein biosynthetic enzyme VioE | Descriptor: | Putative uncharacterized protein, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | Authors: | Ryan, K.S, Drennan, C.L. | Deposit date: | 2007-12-13 | Release date: | 2008-01-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | The Violacein Biosynthetic Enzyme VioE Shares a Fold with Lipoprotein Transporter Proteins J.Biol.Chem., 283, 2008
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3EPT
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2R0G
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![BU of 2r0g by Molmil](/molmil-images/mine/2r0g) | Chromopyrrolic acid-soaked RebC with bound 7-carboxy-K252c | Descriptor: | 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, FLAVIN-ADENINE DINUCLEOTIDE, RebC | Authors: | Ryan, K.S, Drennan, C.L. | Deposit date: | 2007-08-19 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0P
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![BU of 2r0p by Molmil](/molmil-images/mine/2r0p) | K252c-soaked RebC | Descriptor: | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ryan, K.S, Drennan, C.L. | Deposit date: | 2007-08-20 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0C
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6XHN
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![BU of 6xhn by Molmil](/molmil-images/mine/6xhn) | Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Descriptor: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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6XHM
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![BU of 6xhm by Molmil](/molmil-images/mine/6xhm) | Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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4EIP
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![BU of 4eip by Molmil](/molmil-images/mine/4eip) | Native and K252c bound RebC-10x | Descriptor: | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-monooxygenase | Authors: | Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L. | Deposit date: | 2012-04-05 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes. Chem.Biol., 19, 2012
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6P2I
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![BU of 6p2i by Molmil](/molmil-images/mine/6p2i) | Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg | Descriptor: | 1,2-ETHANEDIOL, D-ARGININE, Glycerate dehydrogenase, ... | Authors: | Guo, J, Higgins, M.A, Daniel-Ivad, P, Ryan, K.S. | Deposit date: | 2019-05-21 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | An Asymmetric Reductase That Intercepts Acyclic Imino Acids Producedin Situby a Partner Oxidase. J.Am.Chem.Soc., 141, 2019
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4EIQ
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![BU of 4eiq by Molmil](/molmil-images/mine/4eiq) | Chromopyrrolic acid-soaked RebC-10x with bound 7-carboxy-K252c | Descriptor: | (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid, Putative FAD-monooxygenase | Authors: | Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L. | Deposit date: | 2012-04-05 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes. Chem.Biol., 19, 2012
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6XHL
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![BU of 6xhl by Molmil](/molmil-images/mine/6xhl) | Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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6XHO
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![BU of 6xho by Molmil](/molmil-images/mine/6xho) | Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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3G4X
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![BU of 3g4x by Molmil](/molmil-images/mine/3g4x) | Crystal Structure of NiSOD Y9F mutant | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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3G4Z
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![BU of 3g4z by Molmil](/molmil-images/mine/3g4z) | Crystal Structure of NiSOD Y9F mutant at 1.9 A | Descriptor: | BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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6P29
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![BU of 6p29 by Molmil](/molmil-images/mine/6p29) | N-demethylindolmycin synthase (PluN2) in complex with N-demethylindolmycin | Descriptor: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one, N-demethylindolmycin synthase (PluN2), TRIETHYLENE GLYCOL | Authors: | Du, Y.L, Higgins, M.A, Zhao, G, Ryan, K.S. | Deposit date: | 2019-05-21 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Convergent biosynthetic transformations to a bacterial specialized metabolite. Nat.Chem.Biol., 15, 2019
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1IA8
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![BU of 1ia8 by Molmil](/molmil-images/mine/1ia8) | THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1 | Descriptor: | CHK1 CHECKPOINT KINASE, SULFATE ION | Authors: | Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M. | Deposit date: | 2001-03-22 | Release date: | 2001-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation. Cell(Cambridge,Mass.), 100, 2000
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3G50
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![BU of 3g50 by Molmil](/molmil-images/mine/3g50) | Crystal Structure of NiSOD D3A mutant at 1.9 A | Descriptor: | NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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7N79
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![BU of 7n79 by Molmil](/molmil-images/mine/7n79) | O2-, PLP-dependent desaturase Plu4 holo-enzyme | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-06-09 | Release date: | 2021-10-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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8TJJ
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![BU of 8tjj by Molmil](/molmil-images/mine/8tjj) | SAM-dependent methyltransferase RedM bound to SAM | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, RedM, ... | Authors: | Daniel-Ivad, P, Ryan, K.S. | Deposit date: | 2023-07-22 | Release date: | 2023-12-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine. J.Biol.Chem., 300, 2023
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4IXM
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![BU of 4ixm by Molmil](/molmil-images/mine/4ixm) | Crystal structure of Zn(II)-bound YjiA GTPase from E. coli | Descriptor: | SULFATE ION, Uncharacterized GTP-binding protein YjiA, ZINC ION | Authors: | Jost, M, Ryan, K.S, Turo, K.E, Drennan, C.L. | Deposit date: | 2013-01-26 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Metal binding properties of Escherichia coli YjiA, a member of the metal homeostasis-associated COG0523 family of GTPases. Biochemistry, 52, 2013
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4I1Z
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![BU of 4i1z by Molmil](/molmil-images/mine/4i1z) | Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M | 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 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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4I23
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![BU of 4i23 by Molmil](/molmil-images/mine/4i23) | Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) | 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: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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4I21
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![BU of 4i21 by Molmil](/molmil-images/mine/4i21) | Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide | Descriptor: | ERBB receptor feedback inhibitor 1, 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 (3.37 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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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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