7WA8
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![BU of 7wa8 by Molmil](/molmil-images/mine/7wa8) | Strigolactone receptors in Striga ShHTL7 | Descriptor: | Hyposensitive to light 7 | Authors: | Wang, Y, Yao, R. | Deposit date: | 2021-12-12 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular basis for high ligand sensitivity and selectivity of strigolactone receptors in Striga. Plant Physiology, Volume 185, 2021
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5DO2
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![BU of 5do2 by Molmil](/molmil-images/mine/5do2) | Complex structure of MERS-RBD bound with 4C2 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ... | Authors: | Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J. | Deposit date: | 2015-09-10 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.409 Å) | Cite: | A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein. Cell Res., 25, 2015
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1YGJ
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![BU of 1ygj by Molmil](/molmil-images/mine/1ygj) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | Descriptor: | (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | Deposit date: | 2005-01-05 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives J.Biol.Chem., 280, 2005
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1YGK
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![BU of 1ygk by Molmil](/molmil-images/mine/1ygk) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | Descriptor: | Pyridoxal kinase, R-ROSCOVITINE | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | Deposit date: | 2005-01-05 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives J.Biol.Chem., 280, 2005
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1YHJ
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![BU of 1yhj by Molmil](/molmil-images/mine/1yhj) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | Descriptor: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | Deposit date: | 2005-01-09 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J.Biol.Chem., 280, 2005
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4JGV
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![BU of 4jgv by Molmil](/molmil-images/mine/4jgv) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | Descriptor: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-03-04 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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4OJX
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![BU of 4ojx by Molmil](/molmil-images/mine/4ojx) | crystal structure of yeast phosphodiesterase-1 in complex with GMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | Deposit date: | 2014-01-21 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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4OJV
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![BU of 4ojv by Molmil](/molmil-images/mine/4ojv) | Crystal structure of unliganded yeast PDE1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | Deposit date: | 2014-01-21 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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5AGT
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![BU of 5agt by Molmil](/molmil-images/mine/5agt) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5AGS
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![BU of 5ags by Molmil](/molmil-images/mine/5ags) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5AGR
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![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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3BJC
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![BU of 3bjc by Molmil](/molmil-images/mine/3bjc) | Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor | Descriptor: | 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H. | Deposit date: | 2007-12-03 | Release date: | 2008-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies BIOCHEM.PHARM., 75, 2008
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1T2L
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![BU of 1t2l by Molmil](/molmil-images/mine/1t2l) | Three Crystal Structures of Human Coactosin-like Protein | Descriptor: | Coactosin-like protein | Authors: | Liu, L, Wei, Z, Chen, Z, Wang, Y, Gong, W. | Deposit date: | 2004-04-22 | Release date: | 2004-11-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Coactosin-like Protein J.Mol.Biol., 344, 2004
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2VGP
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![BU of 2vgp by Molmil](/molmil-images/mine/2vgp) | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | Descriptor: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | Deposit date: | 2007-11-15 | Release date: | 2008-02-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors Acs Chem.Biol., 3, 2008
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6JJ8
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![BU of 6jj8 by Molmil](/molmil-images/mine/6jj8) | Crystal structure of OsHXK6-ATP-Mg2+ complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | Deposit date: | 2019-02-25 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of OsHXK6-ATP-Mg2+ complex To Be Published
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6JJ7
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![BU of 6jj7 by Molmil](/molmil-images/mine/6jj7) | Crystal structure of OsHXK6-Glc complex | Descriptor: | Rice hexokinase 6, beta-D-glucopyranose | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | Deposit date: | 2019-02-25 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of OsHXK6-Glc complex To Be Published
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6JJ4
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![BU of 6jj4 by Molmil](/molmil-images/mine/6jj4) | Crystal structure of OsHXK6-apo form | Descriptor: | Hexokinase-6 | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | Deposit date: | 2019-02-25 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of OsHXK6-apo To Be Published
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6JJ9
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![BU of 6jj9 by Molmil](/molmil-images/mine/6jj9) | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ... | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | Deposit date: | 2019-02-25 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex To Be Published
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3V93
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![BU of 3v93 by Molmil](/molmil-images/mine/3v93) | unliganded structure of TcrPDEC1 catalytic domain | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | Deposit date: | 2011-12-23 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors. J.Biol.Chem., 287, 2012
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3V94
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![BU of 3v94 by Molmil](/molmil-images/mine/3v94) | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | Deposit date: | 2011-12-23 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 To be Published
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1ZLT
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![BU of 1zlt by Molmil](/molmil-images/mine/1zlt) | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | Descriptor: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | Deposit date: | 2005-05-09 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog To be Published
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3JRS
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![BU of 3jrs by Molmil](/molmil-images/mine/3jrs) | Crystal structure of (+)-ABA-bound PYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At5g46790 | Authors: | Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M. | Deposit date: | 2009-09-08 | Release date: | 2009-11-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of abscisic acid signalling Nature, 462, 2009
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4W9O
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![BU of 4w9o by Molmil](/molmil-images/mine/4w9o) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54, 2015
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6EEM
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![BU of 6eem by Molmil](/molmil-images/mine/6eem) | Crystal structure of Papaver somniferum tyrosine decarboxylase in complex with L-tyrosine | Descriptor: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, SULFATE ION, TYROSINE, ... | Authors: | Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K. | Deposit date: | 2018-08-14 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.61000657 Å) | Cite: | Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EEQ
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![BU of 6eeq by Molmil](/molmil-images/mine/6eeq) | Crystal structure of Rhodiola rosea 4-hydroxyphenylacetaldehyde synthase | Descriptor: | 4-hydroxyphenylacetaldehyde synthase | Authors: | Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K. | Deposit date: | 2018-08-15 | Release date: | 2018-09-19 | Last modified: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.600086 Å) | Cite: | Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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