5FTM
| Cryo-EM structure of human p97 bound to ATPgS (Conformation II) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | 登録日 | 2016-01-14 | 公開日 | 2016-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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5FTK
| Cryo-EM structure of human p97 bound to ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | 著者 | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | 登録日 | 2016-01-14 | 公開日 | 2016-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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5UGS
| Crystal structure of M. tuberculosis InhA inhibited by PT501 | 分子名称: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5UGU
| Crystal structure of M. tuberculosis InhA inhibited by PT506 | 分子名称: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5UGT
| Crystal structure of M. tuberculosis InhA inhibited by PT504 | 分子名称: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5MTR
| Crystal structure of M. tuberculosis InhA inhibited by PT512 | 分子名称: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5M78
| Human Carbonic Anhydrase II in complex with fragment-like inhibitor. | 分子名称: | 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2016-10-27 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.077 Å) | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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5U3A
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3ZOA
| The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis 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, CALCIUM ION, CHLORIDE ION, ... | 著者 | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | 登録日 | 2013-02-21 | 公開日 | 2013-07-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology, 23, 2013
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6SG6
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6SG0
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7Q02
| Zn-free structure of lipocalin-like Milk protein, inspired from Diploptera punctata, expressed in Saccharomyces cerevisiae | 分子名称: | Milk protein, PALMITOLEIC ACID | 著者 | Banerjee, S, Dhanabalan, K.V, Ramaswamy, S. | 登録日 | 2021-10-14 | 公開日 | 2021-12-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms. Biochim Biophys Acta Gen Subj, 1866, 2022
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7PTZ
| High resolution X-ray structure of E. coli expressed Lentinus similis LPMO. | 分子名称: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION | 著者 | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2021-09-27 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.093 Å) | 主引用文献 | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases. Biomolecules, 12, 2022
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7PU1
| High resolution X-ray structure of Thermoascus aurantiacus LPMO | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L. | 登録日 | 2021-09-28 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases. Biomolecules, 12, 2022
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7PXW
| LPMO, expressed in E.coli, in complex with Cellotetraose | 分子名称: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2021-10-08 | 公開日 | 2022-08-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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7ZQI
| MHC class I from a wild bird in complex with a nonameric peptide P2 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | 著者 | Eltschkner, S, Mellinger, S, Buus, S, Nielsen, M, Paulsson, K.M, Lindkvist-Petersson, K, Westerdahl, H. | 登録日 | 2022-04-29 | 公開日 | 2023-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus. Front Immunol, 14, 2023
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7ZQJ
| MHC class I from a wild bird in complex with a nonameric peptide P3 | 分子名称: | ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ... | 著者 | Eltschkner, S, Mellinger, S, Buus, S, Nielsen, M, Paulsson, K.M, Lindkvist-Petersson, K, Westerdahl, H. | 登録日 | 2022-04-29 | 公開日 | 2023-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus. Front Immunol, 14, 2023
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8QEF
| A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. | 分子名称: | 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid | 著者 | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | 登録日 | 2023-08-31 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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8QCL
| A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | 登録日 | 2023-08-27 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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7ZKY
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8QY4
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8QY5
| Structure of interleukin 6. | 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, Interleukin-6, ... | 著者 | Gardner, S, Bubeck, D, Jin, Y. | 登録日 | 2023-10-25 | 公開日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of interleukin 6. To Be Published
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8QY6
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6GDC
| Human Carbonic Anhydrase II in complex with Benzenesulfonamide | 分子名称: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, MERCURY (II) ION, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2018-04-23 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.079 Å) | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6GM9
| Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide | 分子名称: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2018-05-24 | 公開日 | 2019-06-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.089 Å) | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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