4UPV
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![BU of 4upv by Molmil](/molmil-images/mine/4upv) | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | 登録日 | 2014-06-18 | 公開日 | 2014-10-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4UCQ
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![BU of 4ucq by Molmil](/molmil-images/mine/4ucq) | Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | 著者 | Abou-Hamdan, A, Ceccaldi, P, Lebrette, H, Guttierez-Sanz, O, Richaud, P, Cournac, L, Guigliarelli, B, deLacey, A.L, Leger, C, Volbeda, A, Burlat, B, Dementin, S. | 登録日 | 2014-12-04 | 公開日 | 2015-02-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase. J. Biol. Chem., 290, 2015
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4UPE
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![BU of 4upe by Molmil](/molmil-images/mine/4upe) | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | 登録日 | 2014-06-16 | 公開日 | 2014-10-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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5ON4
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![BU of 5on4 by Molmil](/molmil-images/mine/5on4) | Crystal structure of NikA in complex with Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | 分子名称: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, FE (III) ION, GLYCEROL, ... | 著者 | Cavazza, C, Menage, S. | 登録日 | 2017-08-02 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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5ON5
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![BU of 5on5 by Molmil](/molmil-images/mine/5on5) | |
5ON8
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![BU of 5on8 by Molmil](/molmil-images/mine/5on8) | |
5ON9
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![BU of 5on9 by Molmil](/molmil-images/mine/5on9) | Crystal structure of NikA in complex with reduced Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, ACETATE ION, ... | 著者 | Cavazza, C, Menage, S. | 登録日 | 2017-08-03 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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5ON1
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![BU of 5on1 by Molmil](/molmil-images/mine/5on1) | Crystal structure of NikA in complex with hydroxylated Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | 分子名称: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cavazza, C, Menage, S. | 登録日 | 2017-08-02 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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5ON0
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7A0C
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7A8P
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![BU of 7a8p by Molmil](/molmil-images/mine/7a8p) | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | 分子名称: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | 著者 | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | 登録日 | 2020-08-30 | 公開日 | 2020-12-30 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Small-molecule inhibitors of human mitochondrial DNA transcription. Nature, 588, 2020
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5E00
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![BU of 5e00 by Molmil](/molmil-images/mine/5e00) | Structure of HLA-A2 P130 | 分子名称: | Beta-2-microglobulin, GLY-VAL-TRP-ILE-ARG-THR-PRO-PRO-ALA, HLA class I histocompatibility antigen, ... | 著者 | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | 登録日 | 2015-09-26 | 公開日 | 2017-01-18 | 最終更新日 | 2019-01-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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5N8N
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![BU of 5n8n by Molmil](/molmil-images/mine/5n8n) | Contracted sheath of a Pseudomonas aeruginosa type six secretion system consisting of TssB1 and TssC1 | 分子名称: | EvpB family type VI secretion protein, Type VI secretion protein, family | 著者 | Salih, O, He, S, Stach, L, Macdonald, J.T, Planamente, S, Manoli, E, Scheres, S, Filloux, A, Freemont, P.S. | 登録日 | 2017-02-23 | 公開日 | 2018-01-10 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | Atomic Structure of Type VI Contractile Sheath from Pseudomonas aeruginosa. Structure, 26, 2018
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5MWU
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![BU of 5mwu by Molmil](/molmil-images/mine/5mwu) | Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl | 分子名称: | ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ... | 著者 | Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S. | 登録日 | 2017-01-20 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme To Be Published
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5N1J
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![BU of 5n1j by Molmil](/molmil-images/mine/5n1j) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | 著者 | Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E. | 登録日 | 2017-02-06 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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8AWW
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![BU of 8aww by Molmil](/molmil-images/mine/8aww) | Transthyretin conjugated with a tafamidis derivative | 分子名称: | Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | 著者 | Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M. | 登録日 | 2022-08-30 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates. Angew.Chem.Int.Ed.Engl., 62, 2023
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5NC6
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![BU of 5nc6 by Molmil](/molmil-images/mine/5nc6) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (E)-N-hydroxy-3-(naphthalen-1-yl)prop-2-enamide | 分子名称: | 1,2-ETHANEDIOL, 3-naphthalen-1-yl-~{N}-oxidanyl-propanamide, ACETATE ION, ... | 著者 | Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E. | 登録日 | 2017-03-03 | 公開日 | 2018-02-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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7ZJF
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![BU of 7zjf by Molmil](/molmil-images/mine/7zjf) | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | 分子名称: | Growth/differentiation factor 5 | 著者 | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | 登録日 | 2022-04-10 | 公開日 | 2022-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis. Arthritis Rheumatol, 75, 2023
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3MVW
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![BU of 3mvw by Molmil](/molmil-images/mine/3mvw) | X-ray structure of a "NikA+Iron complex" hybrid, NikA/1 | 分子名称: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-05 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVY
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![BU of 3mvy by Molmil](/molmil-images/mine/3mvy) | X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation | 分子名称: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-05 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MZ9
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![BU of 3mz9 by Molmil](/molmil-images/mine/3mz9) | X-ray structure of NikA in complex with HBED | 分子名称: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-12 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MZB
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![BU of 3mzb by Molmil](/molmil-images/mine/3mzb) | X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2 | 分子名称: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-12 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVX
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![BU of 3mvx by Molmil](/molmil-images/mine/3mvx) | X-ray structure of the reduced NikA/1 hybrid, NikA/1-Red | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-05 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MVZ
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![BU of 3mvz by Molmil](/molmil-images/mine/3mvz) | X-ray structure of the (hydro)peroxo intermediate NikA/1-Int", after monohydroxylation of the iron complex | 分子名称: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, FE (III) ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-05 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MW0
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![BU of 3mw0 by Molmil](/molmil-images/mine/3mw0) | X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 | 分子名称: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ... | 著者 | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | 登録日 | 2010-05-05 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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