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2Q2X
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BU of 2q2x by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula
Descriptor: CurF, GLYCEROL
Authors:Geders, T.W, Mowers, J.C, Smith, J.L.
Deposit date:2007-05-29
Release date:2007-10-09
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
4MYY
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BU of 4myy by Molmil
Structure of a class 2 docking domain complex from modules CurG and CurH of the curacin A polyketide synthase
Descriptor: CurG, CurH fusion protein, SULFATE ION
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
Descriptor: CHLORIDE ION, CurA, GLYCEROL, ...
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
Descriptor: Polyketide synthase
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-01-27
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
4HRD
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BU of 4hrd by Molmil
Crystal structure of yeast 20S proteasome in complex with the natural product carmaphycin A
Descriptor: N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide, Proteasome component C1, Proteasome component C11, ...
Authors:Trivella, D.B.B, Stein, M, Groll, M.
Deposit date:2012-10-27
Release date:2014-01-29
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
4LTC
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BU of 4ltc by Molmil
Crystal structure of yeast 20S proteasome in complex with enone carmaphycin analogue 6
Descriptor: N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Stein, M, Trivella, D.B.B, Groll, M.
Deposit date:2013-07-23
Release date:2014-07-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
7R7G
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BU of 7r7g by Molmil
Synechococcus Olefin Synthase FAAL domain A229I/R336A in complex with palmitoyl adenylate and pyrophosphate
Descriptor: ACETATE ION, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Sikkema, A.P, Strugis, R.M, Smith, J.L.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002
To Be Published
7R7F
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BU of 7r7f by Molmil
Synechococcus Olefin Synthase FAAL domain R336A in complex with stearoyl adenylate and pyrophosphate
Descriptor: ACETATE ION, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Sikkema, A.P, Strugis, R.M, Smith, J.L.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002
To Be Published
7R7E
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BU of 7r7e by Molmil
Synechococcus Olefin Synthase FAAL domain in complex with AMP and pyrophosphate
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Sikkema, A.P, Strugis, R.M, Smith, J.L.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002
To Be Published
7S19
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BU of 7s19 by Molmil
Crystal structure of cruzain with gallinamide analog from 2-indolyl series
Descriptor: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-09-01
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
7S18
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BU of 7s18 by Molmil
Crystal structure of cruzain with gallinamide analog from 2-biaryl series
Descriptor: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-09-01
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
5DOZ
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BU of 5doz by Molmil
Crystal structure of JamJ enoyl reductase (NADPH bound)
Descriptor: ACETATE ION, JamJ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-11
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6ECW
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BU of 6ecw by Molmil
StiD O-MT residues 956-1266
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
5DOV
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BU of 5dov by Molmil
Crystal structure of JamJ enoyl reductase (apo form)
Descriptor: GLYCEROL, JamJ
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-11
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DP1
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BU of 5dp1 by Molmil
Crystal structure of CurK enoyl reductase
Descriptor: CurK, GLYCEROL, PHOSPHATE ION
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-12
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6ECV
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BU of 6ecv by Molmil
StiD O-MT residues 976-1266
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECT
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BU of 6ect by Molmil
StiE O-MT residues 961-1257
Descriptor: S-ADENOSYLMETHIONINE, StiE protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECX
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BU of 6ecx by Molmil
StiE O-MT residues 942-1257
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein
Authors:Skiba, M.A, Bivins, M.B, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
5DP2
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BU of 5dp2 by Molmil
CurF ER cyclopropanase from curacin A biosynthetic pathway
Descriptor: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-12
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6ECU
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BU of 6ecu by Molmil
SeMet substituted StiD O-MT residues 976-1266
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
3KG6
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BU of 3kg6 by Molmil
Dehydratase domain from CurF module of Curacin polyketide synthase
Descriptor: CALCIUM ION, CurF
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG8
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BU of 3kg8 by Molmil
Dehydratase domain from CurJ module of Curacin polyketide synthase
Descriptor: CurJ
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG7
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BU of 3kg7 by Molmil
Dehydratase domain from CurH module of Curacin polyketide synthase
Descriptor: CurH
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG9
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BU of 3kg9 by Molmil
Dehydratase domain from CurK module of Curacin polyketide synthase
Descriptor: CurK
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010

223532

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