7PP7
 
 | | Thunberia alata 16:0-ACP desaturase | | Descriptor: | Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION | | Authors: | Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. | | Deposit date: | 2021-09-13 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase.
Plant Physiol., 188, 2022
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7K3T
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-13 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7SEV
 | | Crystal structure of E coli contaminant protein YadF co-purified with a plant protein | | Descriptor: | Carbonic anhydrase 2, POTASSIUM ION, ZINC ION | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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7SEU
 | | Crystal structure of E coli contaminant protein YncE co-purified with a plant protein | | Descriptor: | PQQ-dependent catabolism-associated beta-propeller protein | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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6W8S
 | | Crystal structure of metacaspase 4 from Arabidopsis | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.484 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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7T63
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8GHT
 | | Cryo-electron microscopy structure of the zinc transporter from Bordetella bronchiseptica | | Descriptor: | CADMIUM ION, PHOSPHATIDYLETHANOLAMINE, Putative membrane protein | | Authors: | Liu, Q, Chai, J, Pang, C.X, Shanklin, J. | | Deposit date: | 2023-03-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters.
Nat Commun, 14, 2023
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6WMS
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6WMQ
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6W8R
 | | Crystal structure of metacaspase 4 C139A from Arabidopsis | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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2XZ0
 | | The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | | Descriptor: | 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | | Authors: | Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2010-11-22 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6W8T
 | | Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium) | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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2XZ1
 | | The Structure of the 2:2 (Fully Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | | Authors: | Guy, J.E, Moche, M, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2010-11-22 | | Release date: | 2011-09-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8F6T
 | | Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila | | Descriptor: | Alkane 1-monooxygenase, DODECANE, FE (III) ION | | Authors: | Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2022-11-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural basis for enzymatic terminal C-H bond functionalization of alkanes.
Nat.Struct.Mol.Biol., 30, 2023
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6Z20
 | | Structure of the EC2 domain of CD9 in complex with nanobody 4C8 | | Descriptor: | CD9 antigen, CHLORIDE ION, GLYCEROL, ... | | Authors: | Oosterheert, W, Manshande, J, Pearce, N.M, Lutz, M, Gros, P. | | Deposit date: | 2020-05-14 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
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2UW1
 | | Ivy Desaturase Structure | | Descriptor: | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ... | | Authors: | Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
J.Biol.Chem., 282, 2007
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2J2F
 | | The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) | | Descriptor: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, FE (III) ION | | Authors: | Guy, J.E, Abreu, I.A, Moche, M, Lindqvist, Y, Whittle, E, Shanklin, J. | | Deposit date: | 2006-08-16 | | Release date: | 2006-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning from Desaturation to Oxidase Chemistry.
Proc.Natl.Acad.Sci.USA, 103, 2006
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1OQB
 | | The Crystal Structure of the one-iron form of the di-iron center in Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | | Descriptor: | Acyl-[acyl-carrier protein] desaturase, FE (II) ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ9
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate. | | Descriptor: | ACETATE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ7
 | | The crystal structure of the iron free (Apo-)form of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | | Descriptor: | Acyl-[acyl-carrier protein] desaturase, STRONTIUM ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ4
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide. | | Descriptor: | AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and acetate complexes plus two iron-depleted crystal structures of the di-iron enzyme delta 9 stearoyl-ACP desaturase- implications for oxygen activation and catalytic intermediates.
J.Biol.Chem., 278, 2003
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