5Z54
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![BU of 5z54 by Molmil](/molmil-images/mine/5z54) | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-01-17 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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8J7F
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![BU of 8j7f by Molmil](/molmil-images/mine/8j7f) | ion channel | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ... | 著者 | Chen, H.W, Chen, H.W. | 登録日 | 2023-04-27 | 公開日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | structure of ion channel To Be Published
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1FI1
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![BU of 1fi1 by Molmil](/molmil-images/mine/1fi1) | FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | 分子名称: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | 著者 | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | 登録日 | 2000-08-03 | 公開日 | 2001-08-29 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA. Structure, 9, 2001
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4YRI
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![BU of 4yri by Molmil](/molmil-images/mine/4yri) | |
4YRR
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![BU of 4yrr by Molmil](/molmil-images/mine/4yrr) | |
6QJP
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![BU of 6qjp by Molmil](/molmil-images/mine/6qjp) | Cryo-EM structure of heparin-induced 2N4R tau jagged filaments | 分子名称: | Microtubule-associated protein tau | 著者 | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | 登録日 | 2019-01-24 | 公開日 | 2019-02-20 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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5Z53
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![BU of 5z53 by Molmil](/molmil-images/mine/5z53) | Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro | 分子名称: | 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-01-16 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6JJT
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![BU of 6jjt by Molmil](/molmil-images/mine/6jjt) | Crystal structure of an enzyme from Penicillium herquei in condition1 | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, PhnH | 著者 | Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2019-02-26 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei. Biochem.Biophys.Res.Commun., 516, 2019
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2HD1
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![BU of 2hd1 by Molmil](/molmil-images/mine/2hd1) | Crystal structure of PDE9 in complex with IBMX | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ... | 著者 | Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H. | 登録日 | 2006-06-19 | 公開日 | 2006-06-27 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding Proc.Natl.Acad.Sci.USA, 101, 2004
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2WM3
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![BU of 2wm3 by Molmil](/molmil-images/mine/2wm3) | Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid | 分子名称: | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ... | 著者 | Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | 登録日 | 2009-06-29 | 公開日 | 2009-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid To be Published
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2WMD
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![BU of 2wmd by Molmil](/molmil-images/mine/2wmd) | Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid | 分子名称: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 | 著者 | Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | 登録日 | 2009-06-30 | 公開日 | 2009-07-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Nmra-Like Family Domain Containing Protein 1 To be Published
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4YWH
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![BU of 4ywh by Molmil](/molmil-images/mine/4ywh) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | 分子名称: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-03-20 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published
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5IWE
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![BU of 5iwe by Molmil](/molmil-images/mine/5iwe) | E45Q mutant of phenazine biosynthesis protein PhzF in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate | 分子名称: | (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Diederich, C, Blankenfeldt, W. | 登録日 | 2016-03-22 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF. Sci Rep, 7, 2017
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4A7J
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![BU of 4a7j by Molmil](/molmil-images/mine/4a7j) | Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance | 分子名称: | HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5 | 著者 | Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E. | 登録日 | 2011-11-14 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance Nat.Struct.Mol.Biol., 19, 2012
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1BOZ
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![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | 分子名称: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | 著者 | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | 登録日 | 1998-08-06 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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7BMS
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![BU of 7bms by Molmil](/molmil-images/mine/7bms) | HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant) | 分子名称: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | 著者 | Koelmel, W, Kuper, J, Kisker, C. | 登録日 | 2021-01-20 | 公開日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem. Sci Rep, 11, 2021
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4YQY
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![BU of 4yqy by Molmil](/molmil-images/mine/4yqy) | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | 分子名称: | MAGNESIUM ION, Putative Dehydrogenase | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-03-13 | 公開日 | 2015-03-25 | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | 主引用文献 | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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7BMR
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![BU of 7bmr by Molmil](/molmil-images/mine/7bmr) | HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant) | 分子名称: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | 著者 | Koelmel, W, Kuper, J, Kisker, C. | 登録日 | 2021-01-20 | 公開日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem. Sci Rep, 11, 2021
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7ZUI
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![BU of 7zui by Molmil](/molmil-images/mine/7zui) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | 分子名称: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | 登録日 | 2022-05-12 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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2GVA
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![BU of 2gva by Molmil](/molmil-images/mine/2gva) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | 分子名称: | GENE V PROTEIN | 著者 | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | 登録日 | 1995-07-27 | 公開日 | 1995-10-15 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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2WYE
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![BU of 2wye by Molmil](/molmil-images/mine/2wye) | The quorum quenching N-acyl homoserine lactone acylase PvdQ is an Ntn- Hydrolase with an unusual substrate-binding pocket | 分子名称: | ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL | 著者 | Bokhove, M, Nadal Jimenez, P, Quax, W.J, Dijkstra, B.W. | 登録日 | 2009-11-16 | 公開日 | 2009-12-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket Proc.Natl.Acad.Sci.USA, 107, 2010
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2GVB
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![BU of 2gvb by Molmil](/molmil-images/mine/2gvb) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | 分子名称: | GENE V PROTEIN | 著者 | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | 登録日 | 1995-07-27 | 公開日 | 1995-10-15 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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2WIH
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![BU of 2wih by Molmil](/molmil-images/mine/2wih) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | 著者 | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | 登録日 | 2009-05-13 | 公開日 | 2009-07-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
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7ZUH
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![BU of 7zuh by Molmil](/molmil-images/mine/7zuh) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6 | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b | 著者 | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | 登録日 | 2022-05-12 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.467 Å) | 主引用文献 | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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1C9U
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![BU of 1c9u by Molmil](/molmil-images/mine/1c9u) | CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ | 分子名称: | CALCIUM ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ... | 著者 | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | 登録日 | 1999-08-03 | 公開日 | 2000-02-04 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
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