3F8E
 
 | | Coumarins are a novel class of suicide carbonic anhydrase inhibitors | | 分子名称: | (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid, BENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Temperini, C, Maresca, A, Scozzafava, A, Supuran, C.T. | | 登録日 | 2008-11-12 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Non-Zinc Mediated Inhibition of Carbonic Anhydrases: Coumarins Are a New Class of Suicide Inhibitors
J.Am.Chem.Soc., 131, 2009
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3FFP
 | | X ray structure of the complex between carbonic anhydrase II and LC inhibitors | | 分子名称: | 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T. | | 登録日 | 2008-12-04 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases
Bioorg.Med.Chem.Lett., 19, 2009
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3EFT
 | | Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety | | 分子名称: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | | 登録日 | 2008-09-10 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Dissecting the Inhibition Mechanism of Cytosolic versus Transmembrane Carbonic Anhydrases by ESR
J.Phys.Chem.B, 113, 2009
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3K2F
 | | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma | | 分子名称: | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Temperini, C, Cecchi, A. | | 登録日 | 2009-09-30 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
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2I6Z
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4B5C
 | | Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia pseudomallei | | 分子名称: | ACETATE ION, PUTATIVE OMPA FAMILY LIPOPROTEIN | | 著者 | Gourlay, L.J, Peri, C, Conchillo-Sole, O, Ferrer-Navarro, M, Gori, A, Longhi, R, Rinchai, D, Lertmemongkolchai, G, Lassaux, P, Daura, X, Colombo, G, Bolognesi, M. | | 登録日 | 2012-08-03 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Exploiting the Burkholderia Pseudomallei Acute Phase Antigen Bpsl2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology.
Chem.Biool., 20, 2013
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4CFI
 | | 3D structure of FliC from Burkholderia pseudomallei | | 分子名称: | FLAGELLIN | | 著者 | Lassaux, P, Peri, C, Ferrer-Navarro, M, Gourlay, L.J, Conchillo-Sole, O, Daura, X, Colombo, G, Bolognesi, M. | | 登録日 | 2013-11-18 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Sequence- and Structure-Based Immunoreactive Epitope Discovery for Burkholderia Pseudomallei Flagellin.
Plos Negl Trop Dis, 9, 2015
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6G5K
 | | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | | 分子名称: | Botulinum neurotoxin type B, Synaptotagmin-1 | | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | 登録日 | 2018-03-29 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6G5G
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | 登録日 | 2018-03-29 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | 分子名称: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | 登録日 | 2018-03-29 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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3B4F
 | | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | | 分子名称: | 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t. | | 登録日 | 2007-10-24 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
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2H15
 | | Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II | | 分子名称: | Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ... | | 著者 | Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T. | | 登録日 | 2006-05-16 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue.
J.Med.Chem., 49, 2006
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4UT1
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5N2B
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5N2C
 | | Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia cenocepacia | | 分子名称: | 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, ... | | 著者 | Matterazzo, E, Bolognesi, M, Gourlay, L.J. | | 登録日 | 2017-02-07 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections.
ACS Infect Dis, 3, 2017
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3ZS6
 | | The Structural characterization of Burkholderia pseudomallei OppA. | | 分子名称: | CHLORIDE ION, GLYCEROL, OLIGOPEPTIDE DVA, ... | | 著者 | Lassaux, P, Gourlay, L.J, Bolognesi, M. | | 登録日 | 2011-06-23 | | 公開日 | 2012-07-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Structure-Based Strategy for Epitope Discovery in Burkholderia Pseudomallei Oppa Antigen.
Structure, 21, 2013
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3C3C
 | | Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP | | 分子名称: | 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | | 登録日 | 2008-01-28 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
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2MPE
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5CR7
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5CQZ
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5FE2
 | | Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3) | | 分子名称: | 1,2-ETHANEDIOL, 2-methyl-3~{H}-isoindol-1-one, Histone acetyltransferase KAT2B | | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE9
 | | Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13) | | 分子名称: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide | | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE6
 | | Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) | | 分子名称: | (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE5
 | | Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7) | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ... | | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE1
 | | Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) | | 分子名称: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B | | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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