4MJY
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![BU of 4mjy by Molmil](/molmil-images/mine/4mjy) | Sixty minutes iron loaded frog M ferritin mutant H54Q | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-09-04 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4MK1
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![BU of 4mk1 by Molmil](/molmil-images/mine/4mk1) | 5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-09-04 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4MOO
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![BU of 4moo by Molmil](/molmil-images/mine/4moo) | Pyranose 2-oxidase H450G mutant with 2-fluorinated galactose | Descriptor: | 2-deoxy-2-fluoro-alpha-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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4L4F
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![BU of 4l4f by Molmil](/molmil-images/mine/4l4f) | Structure of cyanide and camphor bound P450cam mutant L358A/K178G/D182N | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.294 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L8R
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![BU of 4l8r by Molmil](/molmil-images/mine/4l8r) | Structure of mrna stem-loop, human stem-loop binding protein and 3'hexo ternary complex | Descriptor: | 3'-5' exoribonuclease 1, HISTONE MRNA STEM-LOOP, Histone RNA hairpin-binding protein | Authors: | Tan, D, Tong, L. | Deposit date: | 2013-06-17 | Release date: | 2013-07-10 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Histone Mrna Stem-Loop, Human Stem-Loop Binding Protein, and 3'Hexo Ternary Complex. Science, 339, 2013
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4L98
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![BU of 4l98 by Molmil](/molmil-images/mine/4l98) | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | Deposit date: | 2013-06-18 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy. Acta Crystallogr.,Sect.D, 70, 2014
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4LDU
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![BU of 4ldu by Molmil](/molmil-images/mine/4ldu) | Crystal structure of the DNA binding domain of Arabidopsis thaliana auxin response factor 5 | Descriptor: | Auxin response factor 5, CHLORIDE ION | Authors: | Boer, D.R, Freire-Rios, A, van den Berg, W.M.A, Weijers, D, Coll, M. | Deposit date: | 2013-06-25 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for DNA Binding Specificity by the Auxin-Dependent ARF Transcription Factors. Cell(Cambridge,Mass.), 156, 2014
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4L6O
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4LGY
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![BU of 4lgy by Molmil](/molmil-images/mine/4lgy) | Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | Deposit date: | 2013-06-30 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis Plos One, 8, 2013
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4LNP
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![BU of 4lnp by Molmil](/molmil-images/mine/4lnp) | The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | Descriptor: | Sorbin and SH3 domain-containing protein 1, Vinculin | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2013-07-11 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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4LN7
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![BU of 4ln7 by Molmil](/molmil-images/mine/4ln7) | 5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-07-11 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4LDV
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![BU of 4ldv by Molmil](/molmil-images/mine/4ldv) | Crystal structure of the DNA binding domain of A. thailana auxin response factor 1 | Descriptor: | Auxin response factor 1, CHLORIDE ION, FORMIC ACID, ... | Authors: | boer, D.R, Freire-Rios, A, van den Berg, W.M.A, Weijers, D, Coll, M. | Deposit date: | 2013-06-25 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis for DNA Binding Specificity by the Auxin-Dependent ARF Transcription Factors. Cell(Cambridge,Mass.), 156, 2014
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4LG0
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![BU of 4lg0 by Molmil](/molmil-images/mine/4lg0) | Structure of a ternary FOXO1-ETS1 DNA complex | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ... | Authors: | Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A. | Deposit date: | 2013-06-27 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of a ternary FOXO1-ETS1 DNA complex To be Published
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4LGB
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![BU of 4lgb by Molmil](/molmil-images/mine/4lgb) | ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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4M33
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![BU of 4m33 by Molmil](/molmil-images/mine/4m33) | Crystal structure of gated-pore mutant H141D of second DNA-Binding protein under starvation from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | Deposit date: | 2013-08-06 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis J.Biol.Chem., 289, 2014
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4MEJ
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![BU of 4mej by Molmil](/molmil-images/mine/4mej) | Crystal structure of Lactobacillus helveticus purine deoxyribosyl transferase (PDT) with the tricyclic purine 8,9-dihydro-9-oxoimidazo[2,1-b]purine (N2,3-ethenoguanine) | Descriptor: | 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION | Authors: | Paul, D, Seckute, J, Ealick, S.E. | Deposit date: | 2013-08-26 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glycosylation of a tricyclic purine analog at alternative
sites by nucleoside 2 -deoxyribosyltransferases Plos One, 2014
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4M5O
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![BU of 4m5o by Molmil](/molmil-images/mine/4m5o) | 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4LYX
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![BU of 4lyx by Molmil](/molmil-images/mine/4lyx) | five minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-31 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4M5G
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![BU of 4m5g by Molmil](/molmil-images/mine/4m5g) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M5N
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![BU of 4m5n by Molmil](/molmil-images/mine/4m5n) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-amino-1,9-dihydro-2H-purine-2-thione, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4LKB
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![BU of 4lkb by Molmil](/molmil-images/mine/4lkb) | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 | Descriptor: | GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-07 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 To be Published
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4LQ6
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![BU of 4lq6 by Molmil](/molmil-images/mine/4lq6) | Crystal structure of Rv3717 reveals a novel amidase from M. tuberculosis | Descriptor: | CHLORIDE ION, N-acetymuramyl-L-alanine amidase-related protein, PLATINUM (II) ION, ... | Authors: | Kumar, A, Kumar, S, Kumar, D, Mishra, A, Dewangan, R.P, Shrivastava, P, Ramachandran, S, Taneja, B. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 69, 2013
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M5M
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![BU of 4m5m by Molmil](/molmil-images/mine/4m5m) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.118 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M6G
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![BU of 4m6g by Molmil](/molmil-images/mine/4m6g) | Structure of the Mycobacterium tuberculosis peptidoglycan amidase Rv3717 in complex with L-Alanine-iso-D-Glutamine reaction product | Descriptor: | ALANINE, D-alpha-glutamine, Peptidoglycan Amidase Rv3717, ... | Authors: | Prigozhin, D.M, Mavrici, D, Huizar, J.P, Vansell, H.J, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2013-08-09 | Release date: | 2013-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling. J.Biol.Chem., 288, 2013
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