8C7Z
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![BU of 8c7z by Molmil](/molmil-images/mine/8c7z) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | 分子名称: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | 登録日 | 2023-01-18 | 公開日 | 2023-02-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 To Be Published
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8C7W
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![BU of 8c7w by Molmil](/molmil-images/mine/8c7w) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | 分子名称: | 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, ... | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | 登録日 | 2023-01-17 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 To Be Published
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8POD
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![BU of 8pod by Molmil](/molmil-images/mine/8pod) | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 | 分子名称: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ... | 著者 | Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N. | 登録日 | 2023-07-04 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 To Be Published
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5N8C
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![BU of 5n8c by Molmil](/molmil-images/mine/5n8c) | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | 分子名称: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | 著者 | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | 登録日 | 2017-02-23 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based discovery of LpxC inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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8PNR
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![BU of 8pnr by Molmil](/molmil-images/mine/8pnr) | Structure of human KCTD15 BTB domain mutant G88D crystal form 1 | 分子名称: | BTB/POZ domain-containing protein KCTD15 | 著者 | Cruz Walma, D.A, Cros, J, Bradshaw, W, Richardson, W, Chen, Z, Chalk, R, Wilkie, A, Bullock, A.N. | 登録日 | 2023-06-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome. J Med Genet, 61, 2024
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8PNM
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![BU of 8pnm by Molmil](/molmil-images/mine/8pnm) | Structure of human KCTD15 BTB domain mutant G88D crystal form 2 | 分子名称: | BTB/POZ domain-containing protein KCTD15 | 著者 | Cruz Walma, D.A, Cros, J, Bradshaw, W, Richardson, W, Chen, Z, Chalk, R, Wilkie, A, Bullock, A.N. | 登録日 | 2023-06-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome. J Med Genet, 61, 2024
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5D6Q
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![BU of 5d6q by Molmil](/molmil-images/mine/5d6q) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-12 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7D
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![BU of 5d7d by Molmil](/molmil-images/mine/5d7d) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-13 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5D7C
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![BU of 5d7c by Molmil](/molmil-images/mine/5d7c) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-13 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7R
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![BU of 5d7r by Molmil](/molmil-images/mine/5d7r) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-14 | 公開日 | 2015-11-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5CTU
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![BU of 5ctu by Molmil](/molmil-images/mine/5ctu) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-24 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5CTY
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![BU of 5cty by Molmil](/molmil-images/mine/5cty) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-24 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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8R7G
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![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | 登録日 | 2023-11-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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2WDS
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![BU of 2wds by Molmil](/molmil-images/mine/2wds) | Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A | 分子名称: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION | 著者 | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | 登録日 | 2009-03-26 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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4XS7
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![BU of 4xs7 by Molmil](/molmil-images/mine/4xs7) | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis | 分子名称: | Daunorubicin-doxorubicin polyketide synthase | 著者 | 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. | 登録日 | 2015-01-22 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis To Be Published
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4XSA
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![BU of 4xsa by Molmil](/molmil-images/mine/4xsa) | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis | 分子名称: | Daunorubicin-doxorubicin polyketide synthase | 著者 | 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. | 登録日 | 2015-01-22 | 公開日 | 2016-01-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | 主引用文献 | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis To Be Published
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4XSB
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![BU of 4xsb by Molmil](/molmil-images/mine/4xsb) | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis | 分子名称: | Daunorubicin-doxorubicin polyketide synthase | 著者 | 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. | 登録日 | 2015-01-22 | 公開日 | 2016-01-27 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis To Be Published
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4XS9
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![BU of 4xs9 by Molmil](/molmil-images/mine/4xs9) | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis | 分子名称: | Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide | 著者 | 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. | 登録日 | 2015-01-22 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis To Be Published
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1XKZ
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![BU of 1xkz by Molmil](/molmil-images/mine/1xkz) | Crystal structure of the acylated beta-lactam sensor domain of Blar1 from S. aureus | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACYLATED CEFTAZIDIME, Regulatory protein blaR1, ... | 著者 | Birck, C, Cha, J.Y, Cross, J, Schulze-Briese, C, Meroueh, S.O, Schlegel, H.B, Mobashery, S, Samama, J.-P. | 登録日 | 2004-09-30 | 公開日 | 2004-11-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 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
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1JBW
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![BU of 1jbw by Molmil](/molmil-images/mine/1jbw) | FPGS-AMPPCP-folate complex | 分子名称: | 5,10-METHYLENE-6-HYDROFOLIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, FOLYLPOLYGLUTAMATE SYNTHASE, ... | 著者 | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | 登録日 | 2001-06-06 | 公開日 | 2001-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Folate-binding triggers the activation of folylpolyglutamate synthetase. J.Mol.Biol., 310, 2001
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1JBV
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![BU of 1jbv by Molmil](/molmil-images/mine/1jbv) | FPGS-AMPPCP complex | 分子名称: | FOLYLPOLYGLUTAMATE SYNTHASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | 登録日 | 2001-06-06 | 公開日 | 2001-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Folate-binding triggers the activation of folylpolyglutamate synthetase. J.Mol.Biol., 310, 2001
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1AF8
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![BU of 1af8 by Molmil](/molmil-images/mine/1af8) | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES | 分子名称: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | 著者 | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | 登録日 | 1997-03-23 | 公開日 | 1997-09-26 | 最終更新日 | 2024-04-10 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2). Biochemistry, 36, 1997
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1NQ4
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![BU of 1nq4 by Molmil](/molmil-images/mine/1nq4) | Solution Structure of Oxytetracycline Acyl Carrier Protein | 分子名称: | Oxytetracycline polyketide synthase acyl carrier protein | 著者 | Findlow, S.C, Winsor, C, Simpson, T.J, Crosby, J, Crump, M.P. | 登録日 | 2003-01-21 | 公開日 | 2003-11-04 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and dynamics of oxytetracycline polyketide synthase acyl carrier protein from Streptomyces rimosus Biochemistry, 42, 2003
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1W4Z
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![BU of 1w4z by Molmil](/molmil-images/mine/1w4z) | Structure of actinorhodin polyketide (actIII) Reductase | 分子名称: | FORMIC ACID, KETOACYL REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hadfield, A.T, Limpkin, C, Teartasin, W, Simpson, T.J, Crosby, J, Crump, M.P. | 登録日 | 2004-08-03 | 公開日 | 2004-12-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Crystal Structure of the Actiii Actinorhodin Polyketide Reductase; Proposed Mechanism for Acp and Polyketide Binding Structure, 12, 2004
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2WDY
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![BU of 2wdy by Molmil](/molmil-images/mine/2wdy) | Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 A | 分子名称: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ... | 著者 | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | 登録日 | 2009-03-27 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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