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PDB: 91 results

3PCD
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BU of 3pcd by Molmil
PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT
Descriptor: BETA-MERCAPTOETHANOL, CARBONATE ION, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-11-24
Release date:1998-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The axial tyrosinate Fe3+ ligand in protocatechuate 3,4-dioxygenase influences substrate binding and product release: evidence for new reaction cycle intermediates.
Biochemistry, 37, 1998
3PCN
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BU of 3pcn by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYPHENYLACETATE
Descriptor: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-08-19
Release date:1998-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and resonance Raman studies of protocatechuate 3,4-dioxygenase complexed with 3,4-dihydroxyphenylacetate.
Biochemistry, 36, 1997
3PCF
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BU of 3pcf by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-FLURO-4-HYDROXYBENZOATE
Descriptor: 3-FLUORO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-06-27
Release date:1998-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
3PCA
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BU of 3pca by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYBENZOATE
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding.
Biochemistry, 36, 1997
3PCI
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BU of 3pci by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-IODO-4-HYDROXYBENZOATE
Descriptor: 3-IODO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-02
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
3PCJ
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BU of 3pcj by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE
Descriptor: 2-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding.
Biochemistry, 36, 1997
3PCL
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BU of 3pcl by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE AND CYANIDE
Descriptor: 2-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding.
Biochemistry, 36, 1997
3PCK
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BU of 3pck by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE
Descriptor: 6-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding.
Biochemistry, 36, 1997
3PCH
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BU of 3pch by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-CHLORO-4-HYDROXYBENZOATE
Descriptor: 3-CHLORO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-01
Release date:1998-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
3PCM
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BU of 3pcm by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE AND CYANIDE
Descriptor: 6-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding.
Biochemistry, 36, 1997
4M65
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BU of 4m65 by Molmil
In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ...
Authors:Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
2ZAF
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BU of 2zaf by Molmil
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
Authors:Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
Deposit date:2007-10-05
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
2REH
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BU of 2reh by Molmil
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
Authors:Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
Deposit date:2007-09-26
Release date:2008-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
6ZAI
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BU of 6zai by Molmil
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
6ZAE
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BU of 6zae by Molmil
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
6ZAQ
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BU of 6zaq by Molmil
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
6ZAG
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BU of 6zag by Molmil
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
6ZAH
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BU of 6zah by Molmil
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
6ZAN
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BU of 6zan by Molmil
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
6ZAO
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BU of 6zao by Molmil
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
6ZAM
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BU of 6zam by Molmil
Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions.
Descriptor: 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ...
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 (1.55 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAL
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BU of 6zal by Molmil
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
6ZAP
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BU of 6zap by Molmil
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
6ZAF
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BU of 6zaf by Molmil
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
6ZAJ
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BU of 6zaj by Molmil
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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