4ZFO
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![BU of 4zfo by Molmil](/molmil-images/mine/4zfo) | J22.9-xi: chimeric mouse/human antibody against human BCMA (CD269) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, J22.9-xi Fab, ... | Authors: | Marino, S.F, Daumke, O, Olal, D. | Deposit date: | 2015-04-21 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma. Mol Oncol, 9, 2015
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4ZG4
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![BU of 4zg4 by Molmil](/molmil-images/mine/4zg4) | Myosin Vc Pre-powerstroke | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ropars, V, Pylypenko, O, Sweeney, L, Houdusse, A. | Deposit date: | 2015-04-22 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Force-producing ADP state of myosin bound to actin. Proc.Natl.Acad.Sci.USA, 113, 2016
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4ZOS
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![BU of 4zos by Molmil](/molmil-images/mine/4zos) | 2.20 Angstrom resolution crystal structure of protein YE0340 of unidentified function from Yersinia enterocolitica subsp. enterocolitica 8081] | Descriptor: | PHOSPHATE ION, protein YE0340 from Yersinia enterocolitica subsp. enterocolitica 8081 | Authors: | Halavaty, A.S, Wawrzak, A, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-06 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2.20 Angstrom resolution crystal structure of protein YE0340 of unidentified function from Yersinia enterocolitica subsp. enterocolitica 8081] To Be Published
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5LBA
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![BU of 5lba by Molmil](/molmil-images/mine/5lba) | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | Descriptor: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | Authors: | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-15 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea) To be published
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4G1R
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![BU of 4g1r by Molmil](/molmil-images/mine/4g1r) | Crystal structure of anti-HIV actinohivin in complex with alphs-1,2-mannobiose (Form II) | Descriptor: | Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | Deposit date: | 2012-07-11 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Matured structure of anti-HIV lectin actinohivin in complex with alpha-1,2-mannobiose To be Published
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5KRO
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![BU of 5kro by Molmil](/molmil-images/mine/5kro) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | Descriptor: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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4Z9S
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![BU of 4z9s by Molmil](/molmil-images/mine/4z9s) | |
5KZ5
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![BU of 5kz5 by Molmil](/molmil-images/mine/5kz5) | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold | Descriptor: | Cysteine desulfurase, mitochondrial, Frataxin, ... | Authors: | Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | Deposit date: | 2016-07-22 | Release date: | 2016-08-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (14.3 Å) | Cite: | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery. J.Biol.Chem., 291, 2016
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4ZNW
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![BU of 4znw by Molmil](/molmil-images/mine/4znw) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative | Descriptor: | 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | 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: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4GEO
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![BU of 4geo by Molmil](/molmil-images/mine/4geo) | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2012-08-02 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
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4GGZ
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![BU of 4ggz by Molmil](/molmil-images/mine/4ggz) | The structure of bradavidin2-biotin complex | Descriptor: | BIOTIN, Bradavidin 2 | Authors: | Livnah, O, Meir, A. | Deposit date: | 2012-08-07 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The highly dynamic oligomeric structure of bradavidin II is unique among avidin proteins. Protein Sci., 22, 2013
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5KJW
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![BU of 5kjw by Molmil](/molmil-images/mine/5kjw) | Crystal structure of Coleus blumei HCT in complex with 3-hydroxyacetophenone | Descriptor: | 1-(3-hydroxyphenyl)ethanone, Hydroxycinnamoyl transferase | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | Deposit date: | 2016-06-20 | Release date: | 2016-11-02 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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4ICH
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![BU of 4ich by Molmil](/molmil-images/mine/4ich) | Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-12-10 | Release date: | 2013-01-02 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017 To be Published
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5KRH
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![BU of 5krh by Molmil](/molmil-images/mine/5krh) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5L9C
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![BU of 5l9c by Molmil](/molmil-images/mine/5l9c) | Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Nemashkalov, V, Vakhrusheva, A, Tishchenko, S, Gabdulkhakov, A, Kravchenko, O, Gusakov, A, Sinisyn, A. | Deposit date: | 2016-06-10 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose to be published
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5KXC
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![BU of 5kxc by Molmil](/molmil-images/mine/5kxc) | Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 8.5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Evans, S.V, Haji-Ghassemi, O. | Deposit date: | 2016-07-20 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin. J.Biol.Chem., 291, 2016
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4Z6I
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![BU of 4z6i by Molmil](/molmil-images/mine/4z6i) | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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4DB3
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![BU of 4db3 by Molmil](/molmil-images/mine/4db3) | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus. | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-D-glucosamine kinase, ... | Authors: | Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-01-13 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus. TO BE PUBLISHED
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4IKW
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![BU of 4ikw by Molmil](/molmil-images/mine/4ikw) | Crystal structure of peptide transporter POT in complex with sulfate | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ... | Authors: | Doki, S, Kato, H.E, Ishitani, R, Nureki, O. | Deposit date: | 2012-12-28 | Release date: | 2013-07-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT. Proc.Natl.Acad.Sci.USA, 110, 2013
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5L2X
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![BU of 5l2x by Molmil](/molmil-images/mine/5l2x) | Crystal structure of human PrimPol ternary complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ... | Authors: | Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | Deposit date: | 2016-08-02 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of human PrimPol, a DNA polymerase with primase activity. Sci Adv, 2, 2016
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4IKY
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![BU of 4iky by Molmil](/molmil-images/mine/4iky) | Crystal structure of peptide transporter POT (E310Q mutant) in complex with sulfate | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ... | Authors: | Doki, S, Kato, H.E, Ishitani, R, Nureki, O. | Deposit date: | 2012-12-28 | Release date: | 2013-07-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IPS
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![BU of 4ips by Molmil](/molmil-images/mine/4ips) | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ... | Authors: | Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | Deposit date: | 2013-01-10 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
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5KJU
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![BU of 5kju by Molmil](/molmil-images/mine/5kju) | Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate | Descriptor: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | Deposit date: | 2016-06-20 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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4YGO
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![BU of 4ygo by Molmil](/molmil-images/mine/4ygo) | Dodecameric structure of spermidine N-acetyltransferase from Vibrio cholerae in intermediate state | Descriptor: | CALCIUM ION, METHANOL, Spermidine n1-acetyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-02-26 | Release date: | 2015-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG. J.Mol.Biol., 427, 2015
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4IPW
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![BU of 4ipw by Molmil](/molmil-images/mine/4ipw) | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | Descriptor: | (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ... | Authors: | Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | Deposit date: | 2013-01-10 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
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