6KWN
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![BU of 6kwn by Molmil](/molmil-images/mine/6kwn) | Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWL
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![BU of 6kwl by Molmil](/molmil-images/mine/6kwl) | Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWO
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![BU of 6kwo by Molmil](/molmil-images/mine/6kwo) | Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWK
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![BU of 6kwk by Molmil](/molmil-images/mine/6kwk) | Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6LF8
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![BU of 6lf8 by Molmil](/molmil-images/mine/6lf8) | Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-11-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode. J Immunol., 208, 2022
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4PQW
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![BU of 4pqw by Molmil](/molmil-images/mine/4pqw) | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer. Biochem.Biophys.Res.Commun., 446, 2014
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4GM9
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![BU of 4gm9 by Molmil](/molmil-images/mine/4gm9) | Crystal structure of human WD repeat domain 5 with compound MM-401 | Descriptor: | MM-401, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
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4GM3
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![BU of 4gm3 by Molmil](/molmil-images/mine/4gm3) | Crystal structure of human WD repeat domain 5 with compound MM-101 | Descriptor: | MM-101, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.393 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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4LMY
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![BU of 4lmy by Molmil](/molmil-images/mine/4lmy) | Structure of GAS PerR-Zn-Zn | Descriptor: | Peroxide stress regulator PerR, FUR family, ZINC ION | Authors: | Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S. | Deposit date: | 2013-07-11 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding Plos One, 9, 2014
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5TJB
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![BU of 5tjb by Molmil](/molmil-images/mine/5tjb) | I-II linker of TRPML1 channel at pH 4.5 | Descriptor: | Mucolipin-1 | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | Deposit date: | 2016-10-04 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel. Nat. Struct. Mol. Biol., 24, 2017
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4LP8
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![BU of 4lp8 by Molmil](/molmil-images/mine/4lp8) | A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KirBac3.1 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Inward rectifier potassium channel Kirbac3.1, ... | Authors: | Zubcevic, L, Bavro, V.N, Muniz, J.R.C, Schmidt, M.R, Wang, S, De Zorzi, R, Venien-Bryan, C, Sansom, M.S.P, Nichols, C.G, Tucker, S.J. | Deposit date: | 2013-07-15 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Control of KirBac3.1 Potassium Channel Gating at the Interface between Cytoplasmic Domains. J.Biol.Chem., 289, 2014
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5TJA
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![BU of 5tja by Molmil](/molmil-images/mine/5tja) | I-II linker of TRPML1 channel at pH 6 | Descriptor: | Mucolipin-1 | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | Deposit date: | 2016-10-04 | Release date: | 2017-01-25 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel. Nat. Struct. Mol. Biol., 24, 2017
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5TJC
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![BU of 5tjc by Molmil](/molmil-images/mine/5tjc) | I-II linker of TRPML1 channel at pH 7.5 | Descriptor: | Mucolipin-1 | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | Deposit date: | 2016-10-04 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel. Nat. Struct. Mol. Biol., 24, 2017
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4GM8
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![BU of 4gm8 by Molmil](/molmil-images/mine/4gm8) | Crystal structure of human WD repeat domain 5 with compound MM-102 | Descriptor: | MM-102, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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5WIU
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![BU of 5wiu by Molmil](/molmil-images/mine/5wiu) | Structure of the human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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5WIV
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![BU of 5wiv by Molmil](/molmil-images/mine/5wiv) | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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7VJT
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![BU of 7vjt by Molmil](/molmil-images/mine/7vjt) | Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8 | Descriptor: | 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase) | Authors: | Zhang, W, Wang, S.S, Yu, L.F. | Deposit date: | 2021-09-28 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment. J.Med.Chem., 65, 2022
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2X1N
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![BU of 2x1n by Molmil](/molmil-images/mine/2x1n) | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | Descriptor: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | Authors: | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. | Deposit date: | 2009-12-31 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors. J.Med.Chem., 53, 2010
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2L4D
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![BU of 2l4d by Molmil](/molmil-images/mine/2l4d) | cytochrome c domain of pp3183 protein from Pseudomonas putida | Descriptor: | HEME C, SCO1/SenC family protein/cytochrome c | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Kozyreva, T, Mori, M, Wang, S. | Deposit date: | 2010-10-04 | Release date: | 2011-01-26 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Sco proteins are involved in electron transfer processes J.Biol.Inorg.Chem., 16, 2011
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1TH8
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![BU of 1th8 by Molmil](/molmil-images/mine/1th8) | Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: inhibitory complex with ADP, crystal form II | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ... | Authors: | Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigian, J, Leon, F, Darst, S.A, Campbell, E.A. | Deposit date: | 2004-06-01 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA. J.Mol.Biol., 340, 2004
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3T9H
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![BU of 3t9h by Molmil](/molmil-images/mine/3t9h) | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | Deposit date: | 2011-08-02 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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2RLI
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![BU of 2rli by Molmil](/molmil-images/mine/2rli) | Solution structure of Cu(I) human Sco2 | Descriptor: | COPPER (I) ION, SCO2 protein homolog, mitochondrial | Authors: | Banci, L, Bertini, I, Ciofi-baffoni, S, Gerothanassis, I.P, Leontari, I, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2007-07-11 | Release date: | 2007-08-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A Structural Characterization of Human SCO2 Structure, 15, 2007
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3T96
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![BU of 3t96 by Molmil](/molmil-images/mine/3t96) | Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | Descriptor: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | Deposit date: | 2011-08-02 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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5KCC
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![BU of 5kcc by Molmil](/molmil-images/mine/5kcc) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.386 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6A50
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![BU of 6a50 by Molmil](/molmil-images/mine/6a50) | structure of benzoylformate decarboxylases in complex with cofactor TPP | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases | Authors: | Guo, Y, Wang, S, Nie, Y, Li, S. | Deposit date: | 2018-06-21 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis Nat Commun, 2019
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