8ILR
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![BU of 8ilr by Molmil](/molmil-images/mine/8ilr) | Cryo-EM structure of PI3Kalpha in complex with compound 16 | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILV
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![BU of 8ilv by Molmil](/molmil-images/mine/8ilv) | Cryo-EM structure of PI3Kalpha in complex with compound 18 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
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![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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1RQX
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![BU of 1rqx by Molmil](/molmil-images/mine/1rqx) | Crystal structure of ACC Deaminase complexed with Inhibitor | Descriptor: | 1-AMINOCYCLOPROPYLPHOSPHONATE, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Karthikeyan, S, Zhao, Z, Kao, C.L, Zhou, Q, Tao, Z, Zhang, H, Liu, H.W. | Deposit date: | 2003-12-07 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of 1-aminocyclopropane-1-carboxylate deaminase: observation of an aminyl intermediate and identification of Tyr 294 as the active-site nucleophile. Angew.Chem.Int.Ed.Engl., 43, 2004
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2B34
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![BU of 2b34 by Molmil](/molmil-images/mine/2b34) | Structure of MAR1 Ribonuclease from Caenorhabditis elegans | Descriptor: | MAR1 Ribonuclease | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans To be Published
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5KJ8
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![BU of 5kj8 by Molmil](/molmil-images/mine/5kj8) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | Deposit date: | 2016-06-17 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife, 5, 2016
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3A2A
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![BU of 3a2a by Molmil](/molmil-images/mine/3a2a) | The structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1 | Descriptor: | CHLORIDE ION, Voltage-gated hydrogen channel 1 | Authors: | Li, S.J, Unno, H, Zhou, Q, Zhao, Q, Zhai, Y, Sun, F. | Deposit date: | 2009-05-08 | Release date: | 2010-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The role and structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1. J.Biol.Chem., 285, 2010
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5X0M
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![BU of 5x0m by Molmil](/molmil-images/mine/5x0m) | Structure of a eukaryotic voltage-gated sodium channel at near atomic resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, ... | Authors: | Shen, H, Zhou, Q, Pan, X, Li, Z, Wu, J, Yan, N. | Deposit date: | 2017-01-21 | Release date: | 2017-03-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of a eukaryotic voltage-gated sodium channel at near-atomic resolution. Science, 355, 2017
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1F0C
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![BU of 1f0c by Molmil](/molmil-images/mine/1f0c) | STRUCTURE OF THE VIRAL SERPIN CRMA | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ICE INHIBITOR | Authors: | Renatus, M, Zhou, Q, Stennicke, H.R, Snipas, S.J, Turk, D, Bankston, L.A, Liddington, R.C, Salvesen, G.S. | Deposit date: | 2000-05-15 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of the apoptotic suppressor CrmA in its cleaved form. Structure Fold.Des., 8, 2000
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7CMH
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![BU of 7cmh by Molmil](/molmil-images/mine/7cmh) | The LAT2-4F2hc complex in complex with tryptophan | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | Authors: | Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex. Cell Discov, 6, 2020
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7CMI
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![BU of 7cmi by Molmil](/molmil-images/mine/7cmi) | The LAT2-4F2hc complex in complex with leucine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | Authors: | Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex. Cell Discov, 6, 2020
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3H2L
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![BU of 3h2l by Molmil](/molmil-images/mine/3h2l) | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | Deposit date: | 2009-04-14 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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7BPI
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![BU of 7bpi by Molmil](/molmil-images/mine/7bpi) | The crystal structue of PDE10A complexed with 14 | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2020-03-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4000864 Å) | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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3JD8
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![BU of 3jd8 by Molmil](/molmil-images/mine/3jd8) | cryo-EM structure of the full-length human NPC1 at 4.4 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Zhou, Q, Yan, N. | Deposit date: | 2016-05-01 | Release date: | 2016-06-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | The structure of Niemann-Pick C1 protein To Be Published
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7MYO
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![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYN
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![BU of 7myn by Molmil](/molmil-images/mine/7myn) | Cryo-EM Structure of p110alpha in complex with p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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1I3O
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![BU of 1i3o by Molmil](/molmil-images/mine/1i3o) | CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3 | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION | Authors: | Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S. | Deposit date: | 2001-02-15 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the inhibition of caspase-3 by XIAP. Cell(Cambridge,Mass.), 104, 2001
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7CGN
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![BU of 7cgn by Molmil](/molmil-images/mine/7cgn) | The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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7CGE
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![BU of 7cge by Molmil](/molmil-images/mine/7cge) | The overall structure of nucleotide free MlaFEDB complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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7CH0
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![BU of 7ch0 by Molmil](/molmil-images/mine/7ch0) | The overall structure of the MlaFEDB complex in ATP-bound EQclose conformation (Mutation of E170Q on MlaF) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-03 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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6A69
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![BU of 6a69 by Molmil](/molmil-images/mine/6a69) | Cryo-EM structure of a P-type ATPase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1 | Authors: | Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q. | Deposit date: | 2018-06-27 | Release date: | 2018-09-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.11 Å) | Cite: | Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin. Nat Commun, 9, 2018
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6SM4
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![BU of 6sm4 by Molmil](/molmil-images/mine/6sm4) | AntF (apo): type II PKS acyl-carrier protein | Descriptor: | Acyl carrier protein | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMD
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![BU of 6smd by Molmil](/molmil-images/mine/6smd) | PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase | Descriptor: | Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMP
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![BU of 6smp by Molmil](/molmil-images/mine/6smp) | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SM6
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![BU of 6sm6 by Molmil](/molmil-images/mine/6sm6) | AntF (holo): type II PKS acyl-carrier protein | Descriptor: | Acyl carrier protein | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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