5L3Z
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![BU of 5l3z by Molmil](/molmil-images/mine/5l3z) | polyketide ketoreductase SimC7 - binary complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7 | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-24 | Release date: | 2016-10-05 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5L45
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![BU of 5l45 by Molmil](/molmil-images/mine/5l45) | polyketide ketoreductase SimC7 - apo crystal form 2 | Descriptor: | GLYCEROL, SimC7, TETRAETHYLENE GLYCOL | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5ING
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![BU of 5ing by Molmil](/molmil-images/mine/5ing) | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit | Descriptor: | Putative carboxyl transferase | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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5LGV
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![BU of 5lgv by Molmil](/molmil-images/mine/5lgv) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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5INF
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![BU of 5inf by Molmil](/molmil-images/mine/5inf) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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5LGW
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![BU of 5lgw by Molmil](/molmil-images/mine/5lgw) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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6F86
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![BU of 6f86 by Molmil](/molmil-images/mine/6f86) | Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | Descriptor: | 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-12 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6FBK
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![BU of 6fbk by Molmil](/molmil-images/mine/6fbk) | Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide | Descriptor: | Serine/threonine-protein kinase WNK1, Serine/threonine-protein kinase WNK2 | Authors: | Pinkas, D.M, Bufton, J.C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2017-12-19 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.743 Å) | Cite: | Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide To Be Published
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6F94
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![BU of 6f94 by Molmil](/molmil-images/mine/6f94) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide | Descriptor: | 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6F9H
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![BU of 6f9h by Molmil](/molmil-images/mine/6f9h) | Crystal structure of Barley Beta-Amylase complexed with 4-S-alpha-D-glucopyranosyl-(1,4-dideoxy-4-thio-nojirimycin) | Descriptor: | 1,4-dideoxy-4-thio-nojirimycin, Beta-amylase, CHLORIDE ION, ... | Authors: | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2017-12-14 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination To be published
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5A3G
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![BU of 5a3g by Molmil](/molmil-images/mine/5a3g) | Structure of herpesvirus nuclear egress complex subunit M50 | Descriptor: | M50 | Authors: | Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H. | Deposit date: | 2015-06-01 | Release date: | 2015-07-15 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication Proc.Natl.Acad.Sci.USA, 112, 2015
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5LZK
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![BU of 5lzk by Molmil](/molmil-images/mine/5lzk) | Structure of the domain of unknown function DUF1669 from human FAM83B | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B | Authors: | Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-29 | Release date: | 2016-10-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.575 Å) | Cite: | Structure of the domain of unknown function DUF1669 from human FAM83B To Be Published
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5IWD
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![BU of 5iwd by Molmil](/molmil-images/mine/5iwd) | HCMV DNA polymerase subunit UL44 complex with a small molecule | Descriptor: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor | Authors: | Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions. ACS Infect Dis, 3, 2017
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5A15
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![BU of 5a15 by Molmil](/molmil-images/mine/5a15) | Crystal structure of the BTB domain of human KCTD16 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-04-28 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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6F9L
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![BU of 6f9l by Molmil](/molmil-images/mine/6f9l) | Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose | Descriptor: | Beta-amylase, CHLORIDE ION, alpha-D-glucopyranose-(1-4)-3-deoxy-3-fluoro-alpha-D-glucopyranose | Authors: | Tantanarat, K, Stevenson, C.E.M, Rejzek, M, Lawson, D.M, Field, R.A. | Deposit date: | 2017-12-14 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose To be published
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5JFC
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![BU of 5jfc by Molmil](/molmil-images/mine/5jfc) | NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-19 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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6FU5
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![BU of 6fu5 by Molmil](/molmil-images/mine/6fu5) | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide | Authors: | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-02-26 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling. EMBO J., 37, 2018
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6G5W
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![BU of 6g5w by Molmil](/molmil-images/mine/6g5w) | Crystal Structure of KDM4A with compound YP-03-038 | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | Deposit date: | 2015-04-20 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
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6FKG
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![BU of 6fkg by Molmil](/molmil-images/mine/6fkg) | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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2CHA
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![BU of 2cha by Molmil](/molmil-images/mine/2cha) | |
5A6R
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![BU of 5a6r by Molmil](/molmil-images/mine/5a6r) | Crystal structure of the BTB domain of human KCTD17 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5AMO
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![BU of 5amo by Molmil](/molmil-images/mine/5amo) | Structure of a mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of the coiled coil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Pronker, M.F, Bos, T.G.A.A, Sharp, T.H, Thies-Weesie, D.M, Janssen, B.J.C. | Deposit date: | 2015-03-11 | Release date: | 2015-04-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Olfactomedin-1 Has a V-Shaped Disulfide-Linked Tetrameric Structure. J.Biol.Chem., 290, 2015
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5LQD
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![BU of 5lqd by Molmil](/molmil-images/mine/5lqd) | Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase | Authors: | Miah, F, Asencion Diez, M.D, Stevenson, C.E.M, Lawson, D.M, Iglesias, A.A, Bornemann, S. | Deposit date: | 2016-08-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae. J. Biol. Chem., 292, 2017
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5JCA
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![BU of 5jca by Molmil](/molmil-images/mine/5jca) | NADP(H) bound NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-14 | Release date: | 2017-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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