8HAM
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![BU of 8ham by Molmil](/molmil-images/mine/8ham) | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 2 | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | Deposit date: | 2022-10-26 | Release date: | 2023-05-17 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP. Nat Commun, 14, 2023
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8HAJ
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![BU of 8haj by Molmil](/molmil-images/mine/8haj) | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (4.8 angstrom resolution) | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | Deposit date: | 2022-10-26 | Release date: | 2023-05-17 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP. Nat Commun, 14, 2023
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8HAN
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![BU of 8han by Molmil](/molmil-images/mine/8han) | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 3 | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | Deposit date: | 2022-10-26 | Release date: | 2023-05-17 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP. Nat Commun, 14, 2023
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8HAK
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![BU of 8hak by Molmil](/molmil-images/mine/8hak) | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 4 (4.5 angstrom resolution) | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | Deposit date: | 2022-10-26 | Release date: | 2023-05-17 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP. Nat Commun, 14, 2023
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6MJX
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![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MJU
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![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-22 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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2RSK
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![BU of 2rsk by Molmil](/molmil-images/mine/2rsk) | RNA aptamer against prion protein in complex with the partial binding peptide | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3'), partial binding peptide of Major prion protein | Authors: | Mashima, T, Nishikawa, F, Kamatari, Y.O, Fujiwara, H, Nishikawa, S, Kuwata, K, Katahira, M. | Deposit date: | 2012-03-08 | Release date: | 2013-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Anti-prion activity of an RNA aptamer and its structural basis Nucleic Acids Res., 41, 2013
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5U9D
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![BU of 5u9d by Molmil](/molmil-images/mine/5u9d) | Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library | Descriptor: | (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cuozzo, J.W, Centrella, P.A, Gikunju, D, Habeshian, S, Hupp, C.D, Keefe, A.D, Sigel, E, Soutter, H.H, Thomson, H.A, Zhang, Y, Clark, M.A. | Deposit date: | 2016-12-16 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library. Chembiochem, 18, 2017
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4OLJ
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![BU of 4olj by Molmil](/molmil-images/mine/4olj) | Crystal structure of Arg119Gln mutant of Peptidyl-tRNA Hydrolase from Acinetobacter Baumannii at 1.49 A resolution | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Peptidyl-tRNA hydrolase | Authors: | Sikarwar, J, Dube, D, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-01-24 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of Arg119Gln mutant of Peptidyl-tRNA hydrolase from Acinetobacter Baumannii at 1.49 A resolution to be published
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5T61
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![BU of 5t61 by Molmil](/molmil-images/mine/5t61) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, HYDROSULFURIC ACID, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-09-01 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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5T5M
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![BU of 5t5m by Molmil](/molmil-images/mine/5t5m) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRIGONAL FORM AT 2.5 A. | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, GLYCEROL, HYDROSULFURIC ACID, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-08-31 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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5T5I
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![BU of 5t5i by Molmil](/molmil-images/mine/5t5i) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-08-31 | Release date: | 2016-10-19 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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4H4V
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![BU of 4h4v by Molmil](/molmil-images/mine/4h4v) | Crystal Structure of Ferredoxin reductase, BphA4 E175C/T176R/Q177G mutant (oxidized form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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8K7X
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![BU of 8k7x by Molmil](/molmil-images/mine/8k7x) | Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1223) in complex with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Pan, L, Maruyama, S, Miyake, M, Fujita, K, Fushinobu, S. | Deposit date: | 2023-07-27 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans. Appl.Microbiol.Biotechnol., 108, 2024
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4GVJ
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![BU of 4gvj by Molmil](/molmil-images/mine/4gvj) | Tyk2 (JH1) in complex with adenosine di-phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | Deposit date: | 2012-08-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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6S6Y
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![BU of 6s6y by Molmil](/molmil-images/mine/6s6y) | X-ray crystal structure of the formyltransferase/hydrolase complex (FhcABCD) from Methylorubrum extorquens in complex with methylofuran | Descriptor: | (2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid, 1,2-ETHANEDIOL, AMINO GROUP, ... | Authors: | Wagner, T, Hemmann, J.L, Shima, S, Vorholt, J. | Deposit date: | 2019-07-04 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Methylofuran is a prosthetic group of the formyltransferase/hydrolase complex and shuttles one-carbon units between two active sites. Proc.Natl.Acad.Sci.USA, 116, 2019
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1NPM
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![BU of 1npm by Molmil](/molmil-images/mine/1npm) | NEUROPSIN, A SERINE PROTEASE EXPRESSED IN THE LIMBIC SYSTEM OF MOUSE BRAIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUROPSIN | Authors: | Kishi, T, Kato, M, Shimizu, T, Kato, K, Matsumoto, K, Yoshida, S, Shiosaka, S, Hakoshima, T. | Deposit date: | 1998-01-07 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of neuropsin, a hippocampal protease involved in kindling epileptogenesis. J.Biol.Chem., 274, 1999
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4H4Q
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![BU of 4h4q by Molmil](/molmil-images/mine/4h4q) | Crystal Structure of Ferredoxin reductase, BphA4 E175Q/Q177K (reduced form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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4H4Z
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![BU of 4h4z by Molmil](/molmil-images/mine/4h4z) | Crystal Structure of Ferredoxin reductase, BphA4 E175Q/T176R/Q177G mutant (oxidized form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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1X66
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![BU of 1x66 by Molmil](/molmil-images/mine/1x66) | Solution structure of the SAM_PNT-domain of the human friend LEUKEMIAINTEGRATION 1 transcription factor | Descriptor: | Friend leukemia integration 1 transcription factor | Authors: | Goroncy, A, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the SAM_PNT-domain of the human friend LEUKEMIAINTEGRATION 1 transcription factor To be Published
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4H50
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![BU of 4h50 by Molmil](/molmil-images/mine/4h50) | Crystal Structure of Ferredoxin reductase, BphA4 E175Q/T1776R/Q177G mutant (reduced form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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4H4Y
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![BU of 4h4y by Molmil](/molmil-images/mine/4h4y) | Crystal Structure of Ferredoxin reductase, BphA4 E175A/T176R/Q177G mutant (reduced form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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6TLK
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![BU of 6tlk by Molmil](/molmil-images/mine/6tlk) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ... | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2019-12-02 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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6TM3
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![BU of 6tm3 by Molmil](/molmil-images/mine/6tm3) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT | Descriptor: | 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ... | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2019-12-03 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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4H4W
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![BU of 4h4w by Molmil](/molmil-images/mine/4h4w) | Crystal Structure of Ferredoxin reductase, BphA4 E175C/T176R/Q177G mutant (reduced form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
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