3FWO
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![BU of 3fwo by Molmil](/molmil-images/mine/3fwo) | The large ribosomal subunit from Deinococcus radiodurans complexed with Methymycin | 分子名称: | (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S RIBOSOMAL RNA, 5S RIBOSOMAL RNA | 著者 | Auerbach, T, Mermershtain, I, Bashan, A, Davidovich, C, Rozenberg, H, Sherman, D.H, Yonath, A. | 登録日 | 2009-01-19 | 公開日 | 2010-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.71 Å) | 主引用文献 | Structural basis for the antibacterial activity of the 12-membered-ring mono-sugar macrolide methymycin Biotechnologia, 1, 2009
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3ASN
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![BU of 3asn by Molmil](/molmil-images/mine/3asn) | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 1.7470 angstrom wavelength | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | 登録日 | 2010-12-17 | 公開日 | 2011-08-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase Acta Crystallogr.,Sect.D, 67, 2011
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4FJR
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![BU of 4fjr by Molmil](/molmil-images/mine/4fjr) | Mode of interaction of Merocyanine 540 with HEW Lysozyme | 分子名称: | 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid, CHLORIDE ION, Lysozyme C | 著者 | Mitra, P, Banerjee, M, Basu, S, Biswas, S. | 登録日 | 2012-06-12 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Mode of interaction of Merocyanine 540 dye with lysozyme To be Published
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3G35
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3CZH
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![BU of 3czh by Molmil](/molmil-images/mine/3czh) | Crystal structure of CYP2R1 in complex with vitamin D2 | 分子名称: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | 著者 | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2008-04-29 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of CYP2R1 in complex with vitamin D2. To be Published
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8GLF
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3T0V
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![BU of 3t0v by Molmil](/molmil-images/mine/3t0v) | Unliganded fluorogen activating protein M8VL | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | 著者 | Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P. | 登録日 | 2011-07-20 | 公開日 | 2012-03-21 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red. Biochemistry, 51, 2012
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8GLE
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![BU of 8gle by Molmil](/molmil-images/mine/8gle) | Crystal Structure of Human CD1b in Complex with Lysosulfatide | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Shahine, A. | 登録日 | 2023-03-22 | 公開日 | 2023-09-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
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5AVX
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![BU of 5avx by Molmil](/molmil-images/mine/5avx) | Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 20 min | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | 登録日 | 2015-07-01 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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8GLG
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4G32
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![BU of 4g32 by Molmil](/molmil-images/mine/4g32) | Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 1.75A (P21212) | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ... | 著者 | Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I. | 登録日 | 2012-07-13 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa. Faseb J., 27, 2013
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4HBW
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![BU of 4hbw by Molmil](/molmil-images/mine/4hbw) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4GQE
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![BU of 4gqe by Molmil](/molmil-images/mine/4gqe) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline | 分子名称: | (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2012-08-22 | 公開日 | 2013-05-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction Biochemistry, 52, 2013
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5AVV
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![BU of 5avv by Molmil](/molmil-images/mine/5avv) | Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 8.5 min | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | 登録日 | 2015-07-01 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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5AW5
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![BU of 5aw5 by Molmil](/molmil-images/mine/5aw5) | Kinetics by X-ray crystallography: Rb+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 2.2 min | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | 登録日 | 2015-07-01 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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4GTM
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![BU of 4gtm by Molmil](/molmil-images/mine/4gtm) | FTase in complex with BMS analogue 11 | 分子名称: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | 著者 | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | 登録日 | 2012-08-28 | 公開日 | 2012-10-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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3CX5
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6Z2D
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![BU of 6z2d by Molmil](/molmil-images/mine/6z2d) | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 41 21 2 | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, O-glycan protease, ... | 著者 | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | 登録日 | 2020-05-15 | 公開日 | 2020-09-30 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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3DTC
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![BU of 3dtc by Molmil](/molmil-images/mine/3dtc) | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | 分子名称: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | 著者 | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | 登録日 | 2008-07-14 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models. J.Med.Chem., 51, 2008
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4Z2M
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![BU of 4z2m by Molmil](/molmil-images/mine/4z2m) | Crystal structure of human SPT16 Mid-AID/H3-H4 tetramer FACT Histone complex | 分子名称: | FACT complex subunit SPT16, Histone H3.1, Histone H4 | 著者 | Tsunaka, Y, Fujiwara, Y, Oyama, T, Hirose, S, Morikawa, K. | 登録日 | 2015-03-30 | 公開日 | 2016-03-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.981 Å) | 主引用文献 | Integrated molecular mechanism directing nucleosome reorganization by human FACT. Genes Dev., 30, 2016
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3SLS
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![BU of 3sls by Molmil](/molmil-images/mine/3sls) | Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP | 分子名称: | 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Meier, C, Ceska, T.A. | 登録日 | 2011-06-25 | 公開日 | 2012-02-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Engineering human MEK-1 for structural studies: A case study of combinatorial domain hunting. J.Struct.Biol., 177, 2012
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3BE9
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![BU of 3be9 by Molmil](/molmil-images/mine/3be9) | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities | 分子名称: | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha | 著者 | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S. | 登録日 | 2007-11-16 | 公開日 | 2008-11-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities. Bioorg.Med.Chem.Lett., 18, 2008
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3B3P
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![BU of 3b3p by Molmil](/molmil-images/mine/3b3p) | Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ... | 著者 | Igarashi, J, Li, H, Poulos, T.L. | 登録日 | 2007-10-22 | 公開日 | 2008-11-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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4HBY
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![BU of 4hby by Molmil](/molmil-images/mine/4hby) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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3BC9
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![BU of 3bc9 by Molmil](/molmil-images/mine/3bc9) | Alpha-amylase B in complex with acarbose | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | 著者 | Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C. | 登録日 | 2007-11-12 | 公開日 | 2008-04-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch J.Mol.Biol., 378, 2008
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