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8POD
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BU of 8pod by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
Descriptor: 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ...
Authors:Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N.
Deposit date:2023-07-04
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
To Be Published
8C7Z
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BU of 8c7z by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
Descriptor: 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-18
Release date:2023-02-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
8C7W
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BU of 8c7w by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304
Descriptor: 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-17
Release date:2023-02-08
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
8PNM
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BU of 8pnm by Molmil
Structure of human KCTD15 BTB domain mutant G88D crystal form 2
Descriptor: BTB/POZ domain-containing protein KCTD15
Authors:Cruz Walma, D.A, Cros, J, Bradshaw, W, Richardson, W, Chen, Z, Chalk, R, Wilkie, A, Bullock, A.N.
Deposit date:2023-06-30
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome.
J Med Genet, 61, 2024
8PNR
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BU of 8pnr by Molmil
Structure of human KCTD15 BTB domain mutant G88D crystal form 1
Descriptor: BTB/POZ domain-containing protein KCTD15
Authors:Cruz Walma, D.A, Cros, J, Bradshaw, W, Richardson, W, Chen, Z, Chalk, R, Wilkie, A, Bullock, A.N.
Deposit date:2023-06-30
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome.
J Med Genet, 61, 2024
2PNG
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BU of 2png by Molmil
Type I rat fatty acid synthase acyl carrier protein (ACP) domain
Descriptor: Fatty acid synthase (EC 2.3.1.85)
Authors:Ploskon, E.A, Arthur, C.J, Evans, S.E, Williams, C, Crosby, J, Crump, M.P.
Deposit date:2007-04-24
Release date:2007-06-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A Mammalian type I Fatty Acid synthase acyl carrier protein domain does not sequester acyl chains.
J.Biol.Chem., 283, 2008
2WDS
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BU of 2wds by Molmil
Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A
Descriptor: COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION
Authors:Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
Deposit date:2009-03-26
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
2WDO
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BU of 2wdo by Molmil
Crystal structure of the S. coelicolor AcpS in complex with acetyl- CoA at 1.5 A
Descriptor: ACETYL COENZYME *A, COENZYME A, GLYCEROL, ...
Authors:Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
Deposit date:2009-03-25
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
1W4Z
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BU of 1w4z by Molmil
Structure of actinorhodin polyketide (actIII) Reductase
Descriptor: FORMIC ACID, KETOACYL REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hadfield, A.T, Limpkin, C, Teartasin, W, Simpson, T.J, Crosby, J, Crump, M.P.
Deposit date:2004-08-03
Release date:2004-12-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of the Actiii Actinorhodin Polyketide Reductase; Proposed Mechanism for Acp and Polyketide Binding
Structure, 12, 2004
1XKZ
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BU of 1xkz by Molmil
Crystal structure of the acylated beta-lactam sensor domain of Blar1 from S. aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACYLATED CEFTAZIDIME, Regulatory protein blaR1, ...
Authors:Birck, C, Cha, J.Y, Cross, J, Schulze-Briese, C, Meroueh, S.O, Schlegel, H.B, Mobashery, S, Samama, J.-P.
Deposit date:2004-09-30
Release date:2004-11-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray crystal structure of the acylated beta-lactam sensor domain of BlaR1 from Staphylococcus aureus and the mechanism of receptor activation for signal transduction
J.Am.Chem.Soc., 126, 2004
1NQ4
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BU of 1nq4 by Molmil
Solution Structure of Oxytetracycline Acyl Carrier Protein
Descriptor: Oxytetracycline polyketide synthase acyl carrier protein
Authors:Findlow, S.C, Winsor, C, Simpson, T.J, Crosby, J, Crump, M.P.
Deposit date:2003-01-21
Release date:2003-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and dynamics of oxytetracycline polyketide synthase acyl carrier protein from Streptomyces rimosus
Biochemistry, 42, 2003
2AF8
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BU of 2af8 by Molmil
ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN
Authors:Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J.
Deposit date:1997-03-23
Release date:1997-09-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997
2CNJ
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BU of 2cnj by Molmil
NMR studies on the interaction of Insulin-Growth Factor II (IGF-II) with IGF2R domain 11
Descriptor: CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Williams, C, Prince, S, Zaccheo, O, Hassan, A.B, Crosby, J, Crump, M.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights Into the Interaction of Insulin-Like Growth Factor 2 with Igf2R Domain 11.
Structure, 15, 2007
4XSA
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BU of 4xsa by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XS7
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BU of 4xs7 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XS9
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BU of 4xs9 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XSB
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BU of 4xsb by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
2WDY
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BU of 2wdy by Molmil
Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 A
Descriptor: COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ...
Authors:Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
Deposit date:2009-03-27
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
2JCA
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BU of 2jca by Molmil
Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase (AcpS) at 2 A.
Descriptor: GLYCEROL, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, SODIUM ION, ...
Authors:Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
Deposit date:2006-12-21
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
2MVU
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BU of 2mvu by Molmil
Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
Authors:Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
Deposit date:2014-10-15
Release date:2015-10-21
Method:SOLUTION NMR
Cite:ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
2JBZ
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BU of 2jbz by Molmil
Crystal structure of the Streptomyces coelicolor holo-[Acyl-carrier-protein] Synthase (AcpS) in complex with coenzyme A at 1.6 A
Descriptor: COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ...
Authors:Dall'Aglio, P, Arthur, C, Law, C.K.E, Crump, M.P, Crosby, J, Hadfield, A.T.
Deposit date:2006-12-15
Release date:2007-01-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
2KR5
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BU of 2kr5 by Molmil
Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase
Descriptor: 4'-PHOSPHOPANTETHEINE, Aflatoxin biosynthesis polyketide synthase
Authors:Wattana-amorn, P, Williams, C, Ploskon, E, Cox, R.J, Simpson, T.J, Crosby, J, Crump, M.P.
Deposit date:2009-12-03
Release date:2010-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase.
Biochemistry, 49, 2010
2MVV
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BU of 2mvv by Molmil
Solution Structure of the 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
Authors:Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
Deposit date:2014-10-15
Release date:2015-10-21
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
5TT4
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BU of 5tt4 by Molmil
Determining the Molecular Basis For Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Patel, A, Tsai, S.C, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2016-11-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determining the Molecular Basis For Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
1AF8
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BU of 1af8 by Molmil
ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES
Descriptor: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN
Authors:Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J.
Deposit date:1997-03-23
Release date:1997-09-26
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997

 

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