2JBV
 
 | | Crystal structure of choline oxidase reveals insights into the catalytic mechanism | | Descriptor: | CHOLINE OXIDASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ... | | Authors: | Lountos, G.T, Fan, F, Gadda, G, Orville, A.M. | | Deposit date: | 2006-12-13 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Role of Glu312 in Binding and Positioning of the Substrate for the Hydride Transfer Reaction in Choline Oxidase.
Biochemistry, 47, 2008
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5HL4
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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2MAT
 | | E.COLI METHIONINE AMINOPEPTIDASE AT 1.9 ANGSTROM RESOLUTION | | Descriptor: | COBALT (II) ION, PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION | | Authors: | Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W. | | Deposit date: | 1999-03-29 | | Release date: | 1999-06-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
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6PRY
 | | X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F. | | Deposit date: | 2019-07-12 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5MG0
 | | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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5MG1
 | | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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4M65
 | | 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
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4Y5F
 | | PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2015-02-11 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
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3D9G
 | | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ... | | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2008-05-27 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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4Y3I
 | | PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, low dose | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome | | Authors: | Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-20 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
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3D9F
 | | Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane | | Descriptor: | 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2008-05-27 | | Release date: | 2009-04-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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3FCJ
 | | Nitroalkane oxidase: mutant402N crystallized with nitroethane | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ... | | Authors: | Major, D.T, Gao, J, Heroux, A, Orville, A.M, Valley, M.P, Fitzpatrick, P.F. | | Deposit date: | 2008-11-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Differential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reaction.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3D9E
 | | Nitroalkane oxidase: active site mutant D402N crystallized with 1-nitrooctane | | Descriptor: | 1-nitrooctane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2008-05-27 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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3D9D
 | | Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane | | Descriptor: | 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2008-05-27 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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3VCA
 | | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-03 | | Release date: | 2012-02-08 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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3VCP
 | | The 2.2 Angstrom structure of Stc2 with proline bound in the active site | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, PROLINE, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-04 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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2PCD
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN) | | Authors: | Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D. | | Deposit date: | 1994-06-21 | | Release date: | 1994-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution.
J.Mol.Biol., 244, 1994
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2C12
 | | Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2005-09-10 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
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3PCE
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE | | Descriptor: | 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-04-29 | | Release date: | 1998-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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3PCC
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE | | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, P-HYDROXYBENZOIC ACID, ... | | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-04-29 | | Release date: | 1998-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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6Y0N
 | | Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y0O
 | | isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods | | Descriptor: | Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6YPV
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-04-16 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y12
 | | Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods | | Descriptor: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-11 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y0Q
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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