2JKW
 
 | | Pseudoazurin M16F | | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | | 著者 | Yanagisawa, S, Crowley, P.B, Firbank, S.J, Lawler, A.T, Hunter, D.M, McFarlane, W, Li, C, Kohzuma, T, Banfield, M.J, Dennison, C. | | 登録日 | 2008-09-01 | | 公開日 | 2008-11-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Pi-Interaction Tuning of the Active Site Properties of Metalloproteins.
J.Am.Chem.Soc., 130, 2008
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6YZE
 | | Zinc metalloprotease ProA from native source | | 分子名称: | ZINC ION, Zinc metalloproteinase | | 著者 | Schmelz, S, Blankenfeldt, W. | | 登録日 | 2020-05-06 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
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3JUO
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | | 分子名称: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
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3JUP
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (S)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | | 分子名称: | 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
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6R6U
 | | Crystal structure of human cis-aconitate decarboxylase | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION | | 著者 | Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W. | | 登録日 | 2019-03-28 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.705 Å) | | 主引用文献 | Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5OE4
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2KTT
 | | Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole Hybrid to a 10mer DNA Duplex | | 分子名称: | (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | | 著者 | Rettig, M, Weingarth, M, Langel, W, Kamal, A, Kumar, P.P, Weisz, K. | | 登録日 | 2010-02-08 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex.
Biochemistry, 48, 2009
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2KY7
 | | NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate | | 分子名称: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | | 著者 | Rettig, M, Langel, W, Kamal, A, Weisz, K. | | 登録日 | 2010-05-17 | | 公開日 | 2010-06-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate
Org.Biomol.Chem., 8, 2010
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | 分子名称: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-03-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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6RTD
 | | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ... | | 著者 | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | | 登録日 | 2019-05-23 | | 公開日 | 2019-06-19 | | 最終更新日 | 2019-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
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5X4O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | 分子名称: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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6RTE
 | | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C | | 著者 | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | | 登録日 | 2019-05-23 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | 分子名称: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | 分子名称: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | 分子名称: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-03-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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7AL5
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7AL6
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7NBW
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3NKU
 | | Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila | | 分子名称: | DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL | | 著者 | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | | 登録日 | 2010-06-21 | | 公開日 | 2010-08-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
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7OC5
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii | | 分子名称: | Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION | | 著者 | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | 登録日 | 2021-04-26 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7OC6
 | | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | | 分子名称: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | | 著者 | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | 登録日 | 2021-04-26 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-09-15 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7OC4
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product. | | 分子名称: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | 登録日 | 2021-04-26 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3N6O
 | | Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila | | 分子名称: | SULFATE ION, guanine nucleotide exchange factor | | 著者 | Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A. | | 登録日 | 2010-05-26 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA.
Embo Rep., 11, 2010
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3NKV
 | | Crystal structure of Rab1b covalently modified with AMP at Y77 | | 分子名称: | ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ... | | 著者 | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | | 登録日 | 2010-06-21 | | 公開日 | 2010-08-04 | | 最終更新日 | 2017-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
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