5O2D
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![BU of 5o2d by Molmil](/molmil-images/mine/5o2d) | PARP14 Macrodomain 2 with inhibitor | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | Authors: | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-20 | Release date: | 2017-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
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4KIS
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![BU of 4kis by Molmil](/molmil-images/mine/4kis) | Crystal Structure of a LSR-DNA Complex | Descriptor: | CALCIUM ION, DNA (26-MER), Putative integrase [Bacteriophage A118], ... | Authors: | Rutherford, K, Yuan, P, Perry, K, Van Duyne, G.D. | Deposit date: | 2013-05-02 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Attachment site recognition and regulation of directionality by the serine integrases. Nucleic Acids Res., 41, 2013
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8DNN
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![BU of 8dnn by Molmil](/molmil-images/mine/8dnn) | Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ... | Authors: | Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P. | Deposit date: | 2022-07-11 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo. Sci Transl Med, 15, 2023
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3BWM
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![BU of 3bwm by Molmil](/molmil-images/mine/3bwm) | Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | Deposit date: | 2008-01-09 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase. J.Mol.Biol., 380, 2008
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3BWY
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![BU of 3bwy by Molmil](/molmil-images/mine/3bwy) | Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor dinitrocatechol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,5-DINITROCATECHOL, COMT protein, ... | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | Deposit date: | 2008-01-10 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase. J.Mol.Biol., 380, 2008
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1EGR
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![BU of 1egr by Molmil](/molmil-images/mine/1egr) | SEQUENCE-SPECIFIC 1H N.M.R. ASSIGNMENTS AND DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF REDUCED ESCHERICHIA COLI GLUTAREDOXIN | Descriptor: | GLUTAREDOXIN | Authors: | Sodano, P, Xia, T.-H, Bushweller, J.H, Bjornberg, O, Holmgren, A, Billeter, M, Wuthrich, K. | Deposit date: | 1991-10-08 | Release date: | 1993-10-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Sequence-specific 1H n.m.r. assignments and determination of the three-dimensional structure of reduced Escherichia coli glutaredoxin. J.Mol.Biol., 221, 1991
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6DNW
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![BU of 6dnw by Molmil](/molmil-images/mine/6dnw) | Sequence Requirements of the Listeria innocua prophage attP site | Descriptor: | DNA (26-MER), Putative integrase [Bacteriophage A118], ZINC ION | Authors: | Li, H, Sharp, R, Rutherford, K, Gupta, K, Van Duyne, G.D. | Deposit date: | 2018-06-08 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Serine Integrase attP Binding and Specificity. J. Mol. Biol., 430, 2018
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1MWP
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![BU of 1mwp by Molmil](/molmil-images/mine/1mwp) | N-TERMINAL DOMAIN OF THE AMYLOID PRECURSOR PROTEIN | Descriptor: | AMYLOID A4 PROTEIN | Authors: | Rossjohn, J, Cappai, R, Feil, S.C, Henry, A, McKinstry, W.J, Galatis, D, Hesse, L, Multhaup, G, Beyreuther, K, Masters, C.L, Parker, M.W. | Deposit date: | 1999-03-09 | Release date: | 2000-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the N-terminal, growth factor-like domain of Alzheimer amyloid precursor protein. Nat.Struct.Biol., 6, 1999
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2RNK
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![BU of 2rnk by Molmil](/molmil-images/mine/2rnk) | NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3 | Descriptor: | Replicase polyprotein 1ab | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B.W, Wilson, I.A, Stevens, R.C, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2008-01-11 | Release date: | 2008-02-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold. J.Virol., 83, 2009
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2GDT
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![BU of 2gdt by Molmil](/molmil-images/mine/2gdt) | NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus | Descriptor: | Leader protein; p65 homolog; NSP1 (EC 3.4.22.-) | Authors: | Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-03-17 | Release date: | 2007-02-06 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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2G9O
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![BU of 2g9o by Molmil](/molmil-images/mine/2g9o) | Solution structure of the apo form of the third metal-binding domain of ATP7A protein (Menkes Disease protein) | Descriptor: | Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-03-07 | Release date: | 2006-08-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein. J.Biol.Chem., 281, 2006
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2GA7
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![BU of 2ga7 by Molmil](/molmil-images/mine/2ga7) | Solution structure of the copper(I) form of the third metal-binding domain of ATP7A protein (menkes disease protein) | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-03-08 | Release date: | 2006-08-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein. J.Biol.Chem., 281, 2006
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2JMZ
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![BU of 2jmz by Molmil](/molmil-images/mine/2jmz) | Solution structure of a KlbA intein precursor from Methanococcus jannaschii | Descriptor: | Hypothetical protein MJ0781 | Authors: | Johnson, M.A, Southworth, M.W, Herrmann, T, Brace, L, Perler, F.B, Wuthrich, K.A. | Deposit date: | 2006-12-14 | Release date: | 2007-07-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR structure of a KlbA intein precursor from Methanococcus jannaschii Protein Sci., 16, 2007
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2JNQ
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![BU of 2jnq by Molmil](/molmil-images/mine/2jnq) | Solution Structure of a KlbA Intein Precursor from Methanococcus jannaschii | Descriptor: | Hypothetical protein MJ0781 | Authors: | Johnson, M.A, Southworth, M.W, Herrmann, T, Brace, L, Perler, F.B, Wuthrich, K.A. | Deposit date: | 2007-01-31 | Release date: | 2007-07-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR structure of a KlbA intein precursor from Methanococcus jannaschii Protein Sci., 16, 2007
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6ZAG
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![BU of 6zag by Molmil](/molmil-images/mine/6zag) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4001 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAN
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![BU of 6zan by Molmil](/molmil-images/mine/6zan) | Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAE
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![BU of 6zae by Molmil](/molmil-images/mine/6zae) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV under anaerobic conditions. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAH
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![BU of 6zah by Molmil](/molmil-images/mine/6zah) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 800ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAI
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![BU of 6zai by Molmil](/molmil-images/mine/6zai) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5501 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAQ
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![BU of 6zaq by Molmil](/molmil-images/mine/6zaq) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure | Descriptor: | FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAO
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![BU of 6zao by Molmil](/molmil-images/mine/6zao) | Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen. | Descriptor: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAL
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![BU of 6zal by Molmil](/molmil-images/mine/6zal) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAP
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![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAF
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![BU of 6zaf by Molmil](/molmil-images/mine/6zaf) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4001 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAJ
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![BU of 6zaj by Molmil](/molmil-images/mine/6zaj) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5301 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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