7XPS
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![BU of 7xps by Molmil](/molmil-images/mine/7xps) | Crystal structrue of MtdL:GDP:Mn | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Transglycosylse | 著者 | Li, F.D, He, C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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5K75
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![BU of 5k75 by Molmil](/molmil-images/mine/5k75) | IRAK4 in complex with Compound 1 | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | 著者 | Ferguson, A.D. | 登録日 | 2016-05-25 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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7XBI
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![BU of 7xbi by Molmil](/molmil-images/mine/7xbi) | The crystal structure of human TrkA kinase bound to the inhibitor | 分子名称: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor | 著者 | Wu, C.Y, Wang, G, Ouyang, L. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The crystal structure of human TrkA kinase bound to the inhibitor To be published
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5K7T
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![BU of 5k7t by Molmil](/molmil-images/mine/5k7t) | MicroED structure of thermolysin at 2.5 A resolution | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | 著者 | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | 登録日 | 2016-05-26 | 公開日 | 2017-04-05 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | 主引用文献 | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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7X2S
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![BU of 7x2s by Molmil](/molmil-images/mine/7x2s) | Crystal Structure of hetero-Diels-Alderase PycR1 in complex with Neosetophomone B and tropolone o-quinone methide | 分子名称: | (1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Zhou, J, Lu, J. | 登録日 | 2022-02-26 | 公開日 | 2023-04-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction To Be Published
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5K8G
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7XPT
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![BU of 7xpt by Molmil](/molmil-images/mine/7xpt) | Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc | 分子名称: | GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse | 著者 | Li, F.D, He, C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7X2X
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![BU of 7x2x by Molmil](/molmil-images/mine/7x2x) | Crystal Structure of hetero-Diels-Alderase PycR1 in complex with 10-hydroxy-8E-humulene | 分子名称: | (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Zhou, J, Lu, J. | 登録日 | 2022-02-26 | 公開日 | 2023-04-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction To Be Published
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7X36
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![BU of 7x36 by Molmil](/molmil-images/mine/7x36) | Crystal Structure of hetero-Diels-Alderase EupfF | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhou, J, Lu, J. | 登録日 | 2022-02-28 | 公開日 | 2023-04-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction To Be Published
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5KAH
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![BU of 5kah by Molmil](/molmil-images/mine/5kah) | Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant | 分子名称: | (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | 著者 | Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D. | 登録日 | 2016-06-01 | 公開日 | 2017-06-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.779 Å) | 主引用文献 | Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase. Acta Crystallogr D Struct Biol, 73, 2017
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5KGN
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![BU of 5kgn by Molmil](/molmil-images/mine/5kgn) | 1.95A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (2d) | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, GLYCEROL, ... | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | 登録日 | 2016-06-13 | 公開日 | 2017-04-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases. Nat Commun, 8, 2017
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7XPU
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![BU of 7xpu by Molmil](/molmil-images/mine/7xpu) | crystal structure of MtdL-S228A-His soaked GDP-Fucp and Mn | 分子名称: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, MANGANESE (II) ION, ... | 著者 | Li, F.D, He, C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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5KDY
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8HP6
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![BU of 8hp6 by Molmil](/molmil-images/mine/8hp6) | Crystal structure of (S)-2-haloacid dehalogenase D12A mutant | 分子名称: | (S)-2-haloacid dehalogenase, SODIUM ION | 著者 | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | 登録日 | 2022-12-12 | 公開日 | 2023-06-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening Catalysis Science And Technology, 2023
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5JOS
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8HL9
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5JOZ
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![BU of 5joz by Molmil](/molmil-images/mine/5joz) | Bacteroides ovatus Xyloglucan PUL GH43B | 分子名称: | CALCIUM ION, Non-reducing end alpha-L-arabinofuranosidase BoGH43B | 著者 | Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | 登録日 | 2016-05-03 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
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7XGI
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![BU of 7xgi by Molmil](/molmil-images/mine/7xgi) | COMT SAH Mg opicapone complex | 分子名称: | Catechol O-methyltransferase, MAGNESIUM ION, Opicapone, ... | 著者 | Takebe, K, Kuwada-Kusunose, T, Suzuki, M, Iijima, H. | 登録日 | 2022-04-04 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses. J.Chem.Inf.Model., 63, 2023
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5JSI
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![BU of 5jsi by Molmil](/molmil-images/mine/5jsi) | Structure of membrane protein | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | 著者 | Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V. | 登録日 | 2016-05-08 | 公開日 | 2017-05-31 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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8HP5
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![BU of 8hp5 by Molmil](/molmil-images/mine/8hp5) | Crystal structure of (S)-2-haloacid dehalogenase | 分子名称: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL | 著者 | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | 登録日 | 2022-12-12 | 公開日 | 2023-06-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening Catalysis Science And Technology, 2023
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7VHD
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![BU of 7vhd by Molmil](/molmil-images/mine/7vhd) | Crystal structure of the STX2a complexed with R4A peptide | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ARG-ARG-ARG-ARG-ALA, Shiga toxin 2 B subunit, ... | 著者 | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | 登録日 | 2021-09-22 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin. Sci Rep, 12, 2022
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7VUS
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![BU of 7vus by Molmil](/molmil-images/mine/7vus) | Crystal structure of AlleyCat9 with 5-nitro-benzotriazole | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1H-benzotriazole, AlleyCat, ... | 著者 | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | 登録日 | 2021-11-04 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | NMR-guided directed evolution. Nature, 610, 2022
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7VUR
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![BU of 7vur by Molmil](/molmil-images/mine/7vur) | Crystal structure of AlleyCat9 with calcium but no inhibitor | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, AlleyCat, CALCIUM ION | 著者 | Margheritis, E, Takahashi, K, Korendovych, I.V, Tame, J.R.H. | 登録日 | 2021-11-04 | 公開日 | 2022-07-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | NMR-guided directed evolution. Nature, 610, 2022
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5JVB
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![BU of 5jvb by Molmil](/molmil-images/mine/5jvb) | 1.95A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with phosphite | 分子名称: | PHOSPHONATE, Phosphonate ABC transporter, periplasmic phosphonate-binding protein | 著者 | Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A. | 登録日 | 2016-05-11 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The molecular basis of phosphite and hypophosphite recognition by ABC-transporters. Nat Commun, 8, 2017
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7VUC
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