1XL6
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![BU of 1xl6 by Molmil](/molmil-images/mine/1xl6) | Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1 | Descriptor: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | Deposit date: | 2004-09-30 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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1XL4
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![BU of 1xl4 by Molmil](/molmil-images/mine/1xl4) | Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1 | Descriptor: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION | Authors: | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | Deposit date: | 2004-09-30 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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1G99
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![BU of 1g99 by Molmil](/molmil-images/mine/1g99) | AN ANCIENT ENZYME: ACETATE KINASE FROM METHANOSARCINA THERMOPHILA | Descriptor: | ACETATE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Buss, K.A, Cooper, D.R, Ingram-Smith, C, Ferry, J.G, Sanders, D.A, Hasson, M.S. | Deposit date: | 2000-11-22 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Urkinase: structure of acetate kinase, a member of the ASKHA superfamily of phosphotransferases. J.Bacteriol., 183, 2001
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3ETC
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![BU of 3etc by Molmil](/molmil-images/mine/3etc) | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | Authors: | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | Deposit date: | 2008-10-07 | Release date: | 2009-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins, 77, 2009
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3S86
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![BU of 3s86 by Molmil](/molmil-images/mine/3s86) | Crystal Structure of TM0159 with bound IMP | Descriptor: | INOSINIC ACID, Nucleoside-triphosphatase, SULFATE ION | Authors: | Sommerhalter, M, Smith, C, Awwad, K, Desai, A. | Deposit date: | 2011-05-27 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima. Acta Crystallogr.,Sect.D, 69, 2013
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1MXF
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![BU of 1mxf by Molmil](/molmil-images/mine/1mxf) | Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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1MXH
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![BU of 1mxh by Molmil](/molmil-images/mine/1mxh) | Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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1D5C
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![BU of 1d5c by Molmil](/molmil-images/mine/1d5c) | CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE | Authors: | Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C. | Deposit date: | 1999-10-06 | Release date: | 2000-08-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form. Acta Crystallogr.,Sect.D, 56, 2000
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1FC4
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![BU of 1fc4 by Molmil](/molmil-images/mine/1fc4) | 2-AMINO-3-KETOBUTYRATE COA LIGASE | Descriptor: | 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE, 2-AMINO-3-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Schmidt, A, Matte, A, Li, Y, Sivaraman, J, Larocque, R, Schrag, J.D, Smith, C, Sauve, V, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2000-07-17 | Release date: | 2001-05-02 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism. Biochemistry, 40, 2001
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2G5U
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![BU of 2g5u by Molmil](/molmil-images/mine/2g5u) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl | Descriptor: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-02-23 | Release date: | 2006-03-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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2G9K
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![BU of 2g9k by Molmil](/molmil-images/mine/2g9k) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl | Descriptor: | 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-06 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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2GAB
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![BU of 2gab by Molmil](/molmil-images/mine/2gab) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl | Descriptor: | 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-08 | Release date: | 2006-03-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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2DFD
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![BU of 2dfd by Molmil](/molmil-images/mine/2dfd) | Crystal Structure of Human Malate Dehydrogenase Type 2 | Descriptor: | ALANINE, CHLORIDE ION, D-MALATE, ... | Authors: | Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-28 | Release date: | 2006-03-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Malate Dehydrogenase Type 2 To be Published
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4URJ
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![BU of 4urj by Molmil](/molmil-images/mine/4urj) | Crystal structure of human BJ-TSA-9 | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-06-30 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal Structure of Human Bj-Tsa-9 To be Published
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2PD0
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![BU of 2pd0 by Molmil](/molmil-images/mine/2pd0) | Protein cgd2_2020 from Cryptosporidium parvum | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein | Authors: | Cymborowski, M, Chruszcz, M, Hills, T, Lew, J, Melone, M, Zhao, Y, Artz, J, Wernimont, A, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Arrowsmith, C, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-30 | Release date: | 2007-04-17 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein cgd2_2020 from Cryptosporidium parvum To be Published
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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4UYB
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![BU of 4uyb by Molmil](/molmil-images/mine/4uyb) | Crystal structure of SEC14-like protein 3 | Descriptor: | 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND | Authors: | Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-08-29 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Sec14-Like Protein 3 To be Published
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4UEG
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![BU of 4ueg by Molmil](/molmil-images/mine/4ueg) | Crystal structure of human glycogenin-2 catalytic domain | Descriptor: | GLYCOGENIN-2, MAGNESIUM ION | Authors: | Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-12-17 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure of Human Glycogenin-2 Catalytic Domain To be Published
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7OZX
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![BU of 7ozx by Molmil](/molmil-images/mine/7ozx) | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2021-06-29 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone To Be Published
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5L76
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![BU of 5l76 by Molmil](/molmil-images/mine/5l76) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) To Be Published
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5MPO
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![BU of 5mpo by Molmil](/molmil-images/mine/5mpo) | Crystal structure of human molybdopterin synthase complex | Descriptor: | Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit | Authors: | Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-12-16 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human molybdopterin synthase complex To Be Published
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6G4Q
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![BU of 6g4q by Molmil](/molmil-images/mine/6g4q) | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 | Descriptor: | 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ... | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2018-03-28 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 To Be Published
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6HRH
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![BU of 6hrh by Molmil](/molmil-images/mine/6hrh) | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-27 | Release date: | 2018-11-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 To Be Published
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