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6TZV
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BU of 6tzv by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis
Descriptor: 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-08-13
Release date:2020-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis
To Be Published
5FIF
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BU of 5fif by Molmil
Carboxyltransferase domain of a single-chain bacterial carboxylase
Descriptor: 1,2-ETHANEDIOL, Carboxylase
Authors:Hagmann, A, Hunkeler, M, Stuttfeld, E, Maier, T.
Deposit date:2015-12-23
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Hybrid Structure of a Dynamic Single-Chain Carboxylase from Deinococcus radiodurans.
Structure, 24, 2016
3PGQ
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BU of 3pgq by Molmil
Crystal Structure of the Carboxyltransferase Domain of S. cerevisiae Acetyl CoA Carboxylase in Complex with Pinoxaden
Descriptor: 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione, Acetyl-CoA carboxylase
Authors:Tong, L, Yu, L.P.C, Kim, Y.S.
Deposit date:2010-11-02
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism for the inhibition of the carboxyltransferase domain of acetyl-coenzyme A carboxylase by pinoxaden.
Proc.Natl.Acad.Sci.USA, 107, 2010
4L6W
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BU of 4l6w by Molmil
Carboxyltransferase subunit (AccD6) of Mycobacterium tuberculosis acetyl-CoA carboxylase
Descriptor: Probable propionyl-CoA carboxylase beta chain 6
Authors:Anandhakrishnan, M, Ehebauer, M.T, Wilmanns, M.
Deposit date:2013-06-13
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of the carboxyltransferase subunit of Mycobacterium tuberculosis acetyl-CoA carboxylase
To be Published
7W5U
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BU of 7w5u by Molmil
Acetyl-CoA Carboxylase-AccB
Descriptor: Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ...
Authors:Ali, I, Zheng, J.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of Acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus and insights into the substrate-binding through in silico mutagenesis and biophysical investigations.
Comput Biol Med, 145, 2022
4ASI
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BU of 4asi by Molmil
Crystal structure of human ACACA C-terminal domain
Descriptor: ACETYL-COA CARBOXYLASE 1
Authors:Froese, D.S, Muniz, J.R.C, Kiyani, W, Krojer, T, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, Yue, W.W.
Deposit date:2012-05-01
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Acaca C-Terminal Domain
To be Published
5CTC
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BU of 5ctc by Molmil
Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Descriptor: Acetyl-CoA carboxylase, SULFATE ION, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
1W2X
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BU of 1w2x by Molmil
Crystal structure of the carboxyltransferase domain of acetyl- coenzyme A carboxylase in complex with CP-640186
Descriptor: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, ACETYL-COA CARBOXYLASE
Authors:Zhang, H, Tweel, B, Li, J, Tong, L.
Deposit date:2004-07-09
Release date:2004-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme a Carboxylase in Complex with Cp-640186
Structure, 12, 2004
4G2R
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BU of 4g2r by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis
Descriptor: (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase
Authors:Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-07-12
Release date:2014-02-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
1VRG
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BU of 1vrg by Molmil
Crystal structure of propionyl-CoA carboxylase, beta subunit (TM0716) from THERMOTOGA MARITIMA at 2.30 A resolution
Descriptor: BICARBONATE ION, MAGNESIUM ION, propionyl-CoA carboxylase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-02-22
Release date:2005-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of propionyl-CoA carboxylase, beta subunit (TM0716) from THERMOTOGA MARITIMA at 2.30 A resolution
To be published
4Q0G
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BU of 4q0g by Molmil
Crystal structure of beta subunit of acyl-CoA carboxylase AccD1 from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Probable acetyl-/propionyl-CoA carboxylase (Beta subunit) AccD1
Authors:Bie, H.Y, Yin, J, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-04-02
Release date:2016-04-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of Beta subunit of acyl-CoA carboxylase AccD1 from Mycobacterium tuberculosis
To be Published
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
Descriptor: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4FB8
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BU of 4fb8 by Molmil
Crystal Structure of apo Acyl-CoA Carboxylase
Descriptor: Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-05-22
Release date:2014-02-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
3FF6
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BU of 3ff6 by Molmil
Human ACC2 CT domain with CP-640186
Descriptor: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase 2
Authors:Williams, S.P, Madauss, K.P, Burkhart, W.A.
Deposit date:2008-12-02
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist.
Acta Crystallogr.,Sect.D, 65, 2009
3MFM
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BU of 3mfm by Molmil
Crystal Structures and Mutational Analyses of Acyl-CoA Carboxylase Subunit of Streptomyces coelicolor
Descriptor: Propionyl-CoA carboxylase complex B subunit
Authors:Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Melgar, M.M.
Deposit date:2010-04-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor.
Biochemistry, 49, 2010
3GF7
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BU of 3gf7 by Molmil
Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum apoprotein
Descriptor: Glutaconyl-CoA decarboxylase subunit A, SULFATE ION
Authors:Kress, D, Brugel, D, Buckel, W, Essen, L.-O.
Deposit date:2009-02-26
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases
J.Biol.Chem., 284, 2009
2BZR
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BU of 2bzr by Molmil
Crystal structure of accD5 (Rv3280), an acyl-CoA carboxylase beta- subunit from Mycobacterium tuberculosis
Descriptor: PROPIONYL-COA CARBOXYLASE BETA CHAIN 5
Authors:Holton, S.J.
Deposit date:2005-08-22
Release date:2007-01-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Diversity in the Six-Fold Redundant Set of Acyl-Coa Carboxyltransferases in Mycobacterium Tuberculosis.
FEBS Lett., 580, 2006
6PK2
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BU of 6pk2 by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta
Authors:Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6).
To Be Published
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
Authors:Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-07-11
Release date:2020-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
2A7S
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BU of 2a7s by Molmil
Crystal Structure of the Acyl-CoA Carboxylase, AccD5, from Mycobacterium tuberculosis
Descriptor: Probable propionyl-CoA carboxylase beta chain 5
Authors:Lin, T, Melgar, M, Purdon, J, Tseng, T, Tsai, S.C.
Deposit date:2005-07-06
Release date:2006-02-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5CTB
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BU of 5ctb by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one
Descriptor: 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTE
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BU of 5cte by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
Descriptor: 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
3TDC
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BU of 3tdc by Molmil
Crystal Structure of Human Acetyl-CoA carboxylase 2
Descriptor: 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant
Authors:Dougan, D.R, Mol, C.D.
Deposit date:2011-08-10
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

 

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