2CKJ
 
 | | Human milk xanthine oxidoreductase | | Descriptor: | ACETIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pearson, A.R, Godber, B.L.J, Eisenthal, R, Taylor, G.L, Harrison, R. | | Deposit date: | 2006-04-19 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Human Milk Xanthine Dehydrogenase is Incompletely Converted to the Oxidase Form in the Absence of Proteolysis. A Structural Explanation.
To be Published
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2J56
 | | X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- semiquinone in complex with amicyanin. | | Descriptor: | AMICYANIN, COPPER (II) ION, GLYCEROL, ... | | Authors: | Pearson, A.R, Pahl, R, Davidson, V.L, Wilmot, C.M. | | Deposit date: | 2006-09-12 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tracking X-Ray-Derived Redox Changes in Crystals of a Methylamine Dehydrogenase/Amicyanin Complex Using Single-Crystal Uv/Vis Microspectrophotometry.
J.Synchrotron Radiat., 14, 2007
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2J55
 | | X-ray reduced Paraccocus denitrificans methylamine dehydrogenase O- quinone in complex with amicyanin. | | Descriptor: | AMICYANIN, COPPER (II) ION, GLYCEROL, ... | | Authors: | Pearson, A.R, Pahl, R, Davidson, V.L, Wilmot, C.M. | | Deposit date: | 2006-09-12 | | Release date: | 2007-01-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Tracking X-Ray-Derived Redox Changes in Crystals of a Methylamine Dehydrogenase/Amicyanin Complex Using Single-Crystal Uv/Vis Microspectrophotometry.
J.Synchrotron Radiat., 14, 2007
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2J57
 | | X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- quinol in complex with amicyanin. | | Descriptor: | AMICYANIN, COPPER (II) ION, METHYLAMINE DEHYDROGENASE HEAVY CHAIN, ... | | Authors: | Pearson, A.R, Pahl, R, Davidson, V.L, Wilmot, C.M. | | Deposit date: | 2006-09-12 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Tracking X-Ray-Derived Redox Changes in Crystals of a Methylamine Dehydrogenase/Amicyanin Complex Using Single-Crystal Uv/Vis Microspectrophotometry.
J.Synchrotron Radiat., 14, 2007
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4S0K
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79V, and 123A mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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4S02
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, F42W, Y79A, and F123Y mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-30 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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4S0J
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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4S03
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79I, and F123A mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-30 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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4S0L
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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2JE3
 | | Cytochrome P460 from Nitrosomonas europaea - probable physiological form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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2JE2
 | | Cytochrome P460 from Nitrosomonas europaea - probable nonphysiological oxidized form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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4S0I
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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6HSV
 | | Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
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4UUI
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6YVF
 | | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1T2B
 | | Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L. | | Deposit date: | 2004-04-20 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam
Biochemistry, 43, 2004
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8QFG
 | | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8QFF
 | | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8QFH
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8QFJ
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8QFI
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8B37
 | | Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate | | Descriptor: | IMIDODIPHOSPHORIC ACID, K(+)-insensitive pyrophosphate-energized proton pump, MAGNESIUM ION, ... | | Authors: | Strauss, J, Wilkinson, C, Vidilaseris, K, Ribeiro, O, Liu, J, Hillier, J, Malinen, A, Gehl, B, Jeuken, L.C, Pearson, A.R, Goldman, A. | | Deposit date: | 2022-09-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.84 Å) | | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
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7VN0
 | | CATPO mutant - T188A | | Descriptor: | ALANINE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B. | | Deposit date: | 2021-10-10 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
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