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4V0J
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BU of 4v0j by Molmil
The channel-block Ser202Glu, Thr104Lys double mutant of Stearoyl-ACP- Desaturase from Castor bean (Ricinus communis)
Descriptor: ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, CHLOROPLASTIC, FE (II) ION, ...
Authors:Moche, M, Guy, J, Whittle, E, Lindqvist, Y, Shanklin, J.
Deposit date:2014-09-17
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Half-of-the-Sites Reactivity of the Castor Delta9-18:0-Acp Desaturase.
Plant Physiol., 169, 2015
7PP7
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BU of 7pp7 by Molmil
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
8F6T
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BU of 8f6t by Molmil
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:2023-04-26
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural basis for enzymatic terminal C-H bond functionalization of alkanes.
Nat.Struct.Mol.Biol., 30, 2023
8GHT
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BU of 8ght by Molmil
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
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters.
Nat Commun, 14, 2023
6W8R
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BU of 6w8r by Molmil
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
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
Descriptor: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 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
7MRR
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BU of 7mrr by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-05-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 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
7SEV
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BU of 7sev by Molmil
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:2022-04-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
7SEU
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BU of 7seu by Molmil
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
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
7T63
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BU of 7t63 by Molmil
Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia
Descriptor: DESATURASE, FE (II) ION
Authors:Liu, Q, Chai, J, Shanklin, J.
Deposit date:2021-12-13
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent evolution of extreme production of variant plant monounsaturated fatty acids.
Proc.Natl.Acad.Sci.USA, 119, 2022
2J2F
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BU of 2j2f by Molmil
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
2XZ0
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BU of 2xz0 by Molmil
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
2XZ1
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BU of 2xz1 by Molmil
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:2023-12-20
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
6W8S
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BU of 6w8s by Molmil
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
6W8T
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BU of 6w8t by Molmil
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
2UW1
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BU of 2uw1 by Molmil
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
7JYC
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BU of 7jyc by Molmil
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:2023-10-18
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
7K3T
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BU of 7k3t by Molmil
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
7K6D
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BU of 7k6d by Molmil
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:2023-10-18
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
7K6E
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BU of 7k6e by Molmil
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:2023-10-18
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
7K40
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BU of 7k40 by Molmil
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
1OQ7
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BU of 1oq7 by Molmil
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
1OQ4
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BU of 1oq4 by Molmil
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
1OQB
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BU of 1oqb by Molmil
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
1OQ9
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BU of 1oq9 by Molmil
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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