6WC0
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6WIL
| CdiB from Acinetobacter baumannii | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, DI(HYDROXYETHYL)ETHER, Hemolysin activator protein CdiB, ... | 著者 | Guerin, J, Botos, I, Buchanan, S.K. | 登録日 | 2020-04-10 | 公開日 | 2020-11-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insight into toxin secretion by contact dependent growth inhibition transporters. Elife, 9, 2020
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5G0Q
| beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound | 分子名称: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL | 著者 | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | 登録日 | 2016-03-22 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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5G0M
| beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound | 分子名称: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION | 著者 | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | 登録日 | 2016-03-21 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family To be Published
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7V50
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7V51
| BVMO_negative mutant D432V | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase | 著者 | Wu, Y, Yu, H.-L. | 登録日 | 2021-08-16 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides. CHINESE J CATAL, 51, 2023
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7V4X
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9BA4
| Full-length cross-linked Contactin 2 (CNTN2) | 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, Contactin-2 | 著者 | Liu, J.L, Fan, S.F, Ren, G.R, Rudenko, G.R. | 登録日 | 2024-04-03 | 公開日 | 2024-07-17 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Molecular mechanism of contactin 2 homophilic interaction. Structure, 2024
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5ZZC
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94A resolution | 分子名称: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | 著者 | Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-05-31 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94 A resolution To Be Published
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6A7D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution | 分子名称: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | 著者 | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-07-02 | 公開日 | 2018-07-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution To Be Published
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6A6D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution | 分子名称: | DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ... | 著者 | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-06-27 | 公開日 | 2018-07-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution To Be Published
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6A75
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution | 分子名称: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | 著者 | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-07-02 | 公開日 | 2018-07-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution To Be Published
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2GFD
| GRP94 in complex with the novel HSP90 Inhibitor Radamide | 分子名称: | Endoplasmin, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE, PENTAETHYLENE GLYCOL, ... | 著者 | Immormino, R.M, Gewirth, D.T. | 登録日 | 2006-03-21 | 公開日 | 2007-04-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design. J.Mol.Biol., 388, 2009
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7SWR
| Crystal structure of the chromoprotein gfasPurple | 分子名称: | CHLORIDE ION, Chromoprotein gfasPurple | 著者 | Caputo, A.T, Newman, J, Peat, T.S, Scott, C, Ahmed, H. | 登録日 | 2021-11-21 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.388 Å) | 主引用文献 | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed. Acta Crystallogr D Struct Biol, 78, 2022
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6HSB
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2XX4
| Macrolactone Inhibitor bound to HSP90 N-term | 分子名称: | (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | 登録日 | 2010-11-08 | 公開日 | 2011-11-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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2XX5
| Macrolactone Inhibitor bound to HSP90 N-term | 分子名称: | (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | 著者 | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | 登録日 | 2010-11-08 | 公開日 | 2011-11-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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2XD6
| Hsp90 complexed with a resorcylic acid macrolactone. | 分子名称: | (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | 著者 | Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J. | 登録日 | 2010-04-29 | 公開日 | 2010-08-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies. Chemistry, 16, 2010
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2XX2
| Macrolactone Inhibitor bound to HSP90 N-term | 分子名称: | (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | 著者 | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | 登録日 | 2010-11-08 | 公開日 | 2011-11-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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4LGN
| The structure of Acidothermus cellulolyticus family 74 glycoside hydrolase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cellulose-binding, ... | 著者 | Alahuhta, P.M, Lunin, V.V. | 登録日 | 2013-06-28 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure of Acidothermus cellulolyticus family 74 glycoside hydrolase at 1.82 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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7PSK
| Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109 | 分子名称: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSI
| Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727 | 分子名称: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSH
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7PSJ
| Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166 | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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8B0D
| Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | 分子名称: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ... | 著者 | Armstrong, Z, Davies, G.J. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
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