8D32
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to 5-deoxyadenosylrhodibalamin and PPPi | Descriptor: | 5'-DEOXYADENOSINE, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2022-05-31 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A noble substitution leads to the cofactor mimicry by rhodibalamin To Be Published
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6OXD
| Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Itaconyl coenzyme A, ... | Authors: | Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M. | Deposit date: | 2019-05-13 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair. Science, 366, 2019
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6OXC
| Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ... | Authors: | Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M. | Deposit date: | 2019-05-13 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair. Science, 366, 2019
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5UOS
| Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12 | Descriptor: | 1-ethynyl-2,4-difluorobenzene, 2-PHENYLAMINO-ETHANESULFONIC ACID, COBALAMIN, ... | Authors: | Shanmuganathan, A, Karasik, A, Ruetz, M, Banerjee, R, Krautler, B, Koutmos, M. | Deposit date: | 2017-02-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate. Angew. Chem. Int. Ed. Engl., 56, 2017
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5M2Q
| Structure of cobinamide-bound BtuF mutant W66F, the periplasmic vitamin B12 binding protein in E.coli | Descriptor: | COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ... | Authors: | Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P. | Deposit date: | 2016-10-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F. Sci Rep, 7, 2017
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8GJU
| Crystal structure of human methylmalonyl-CoA mutase (MMUT) in complex with methylmalonic acidemia type A protein (MMAA), coenzyme A, and GDP | Descriptor: | COENZYME A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.M, Ruetz, M, Gouda, H, Yaw, M, Banerjee, R. | Deposit date: | 2023-03-16 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Architecture of the human G-protein-methylmalonyl-CoA mutase nanoassembly for B 12 delivery and repair. Nat Commun, 14, 2023
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5UJC
| Crystal structure of a C.elegans B12-trafficking protein CblC, a human MMACHC homologue | Descriptor: | CO-METHYLCOBALAMIN, D(-)-TARTARIC ACID, GLYCEROL, ... | Authors: | Li, Z, Shanmuganathan, A, Ruetz, M, Yamada, K, Lesniak, N.A, Krautler, B, Brunold, T.C, Banerjee, R, Koutmos, M. | Deposit date: | 2017-01-17 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Coordination chemistry controls the thiol oxidase activity of the B12-trafficking protein CblC. J. Biol. Chem., 292, 2017
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6WGV
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin and PPPi | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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6WH5
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to cob(II)alamin and PPPi | Descriptor: | COBALAMIN, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-07 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGS
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGU
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase | Descriptor: | Corrinoid adenosyltransferase, SULFATE ION | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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5M34
| Structure of cobinamide-bound BtuF mutant W66Y, the periplasmic vitamin B12 binding protein in E.coli | Descriptor: | COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ... | Authors: | Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P. | Deposit date: | 2016-10-14 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F. Sci Rep, 7, 2017
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5M3B
| Structure of cobinamide-bound BtuF mutant W66L, the periplasmic vitamin B12 binding protein in E.coli | Descriptor: | COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ... | Authors: | Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P. | Deposit date: | 2016-10-14 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F. Sci Rep, 7, 2017
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5M29
| Structure of cobinamide-bound BtuF, the periplasmic vitamin B12 binding protein in E.coli | Descriptor: | COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ... | Authors: | Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P. | Deposit date: | 2016-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F. Sci Rep, 7, 2017
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5NSA
| Beta domain of human transcobalamin bound to Co-beta-[2-(2,4-difluorophenyl)ethinyl]cobalamin | Descriptor: | 1-ethynyl-2,4-difluorobenzene, CALCIUM ION, COBALAMIN, ... | Authors: | Bloch, J.S, Ruetz, M, Krautler, B, Locher, K.P. | Deposit date: | 2017-04-25 | Release date: | 2017-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.273 Å) | Cite: | Structure of the human transcobalamin beta domain in four distinct states. PLoS ONE, 12, 2017
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7RUU
| Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin | Descriptor: | 5'-DEOXYADENOSINE, ACETATE ION, COBALAMIN, ... | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | Deposit date: | 2021-08-18 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions. J.Biol.Chem., 297, 2021
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7RUT
| Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ... | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | Deposit date: | 2021-08-18 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions. J.Biol.Chem., 297, 2021
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7RUV
| Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | Deposit date: | 2021-08-18 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions. J.Biol.Chem., 297, 2021
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8DYJ
| Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALAMIN, Methylmalonyl-CoA mutase, ... | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | Deposit date: | 2022-08-04 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DYL
| Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin | Descriptor: | COBALAMIN, GLYCEROL, Methylmalonyl-CoA mutase, ... | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | Deposit date: | 2022-08-04 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair. Proc.Natl.Acad.Sci.USA, 120, 2023
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6D5X
| Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate | Descriptor: | 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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6D5K
| Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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5NO0
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5NRP
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5NP4
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