5XL1
 
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5XLD
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4B7C
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | | 著者 | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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5U5I
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5U5N
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5UGJ
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5UA0
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1VJ3
 | | STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE. | | 分子名称: | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G. | | 登録日 | 2004-01-13 | | 公開日 | 2004-01-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
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4CL6
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | | 分子名称: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | | 著者 | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | 登録日 | 2014-01-13 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
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4D7P
 | | Superoxide reductase (1Fe-SOR) from Giardia intestinalis | | 分子名称: | FE (III) ION, SUPEROXIDE REDUCTASE | | 著者 | Sousa, C.M, Carpentier, P, Matias, P.M, Testa, F, Pinho, F.G, Sarti, P, Giuffre, A, Bandeiras, T.M, Romao, C.V. | | 登録日 | 2014-11-26 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction.
Acta Crystallogr.,Sect.D, 71, 2015
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4F7M
 | | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658) | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | 著者 | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, George, F.G. | | 登録日 | 2012-05-16 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
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3EYD
 | | Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid | | 分子名称: | HCV NS3, HCV NS4a peptide, ZINC ION, ... | | 著者 | Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G. | | 登録日 | 2008-10-20 | | 公開日 | 2009-02-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19, 2009
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3FVM
 | | Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++ | | 分子名称: | MANGANESE (II) ION, Mannonate dehydratase | | 著者 | Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G. | | 登録日 | 2009-01-16 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
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8PHM
 | | Oxalate-bound cobalt(II) human carbonic anhydrase II | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | | 著者 | Gigli, L, Malanho Silva, J, Cerofolini, L, Macedo, A.L, Geraldes, C.F.G.C, Suturina, E.A, Calderone, V, Fragai, M, Parigi, G, Ravera, E, Luchinat, C. | | 登録日 | 2023-06-20 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins.
Inorg.Chem., 63, 2024
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8OGD
 | | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | | 著者 | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | 登録日 | 2023-03-20 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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8OGE
 | | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | | 著者 | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | 登録日 | 2023-03-20 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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7OP7
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine | | 分子名称: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | 著者 | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2021-05-29 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7OMS
 | | Bs164 in complex with mannocyclophellitol aziridine | | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J. | | 登録日 | 2021-05-24 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7OP6
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | 著者 | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2021-05-29 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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3SHI
 | | Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | | 分子名称: | CALCIUM ION, Interstitial collagenase, ZINC ION | | 著者 | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | | 登録日 | 2011-06-16 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
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5VFM
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5VFN
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5VFJ
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6H6S
 | | Sad phasing on nickel-substituted human carbonic anhydrase II | | 分子名称: | Carbonic anhydrase 2, NICKEL (II) ION | | 著者 | Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. | | 登録日 | 2018-07-30 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
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1DZ7
 | | Solution structure of the a-subunit of human chorionic gonadotropin [modeled without carbohydrate residues] | | 分子名称: | CHORIONIC GONADOTROPIN | | 著者 | Erbel, P.J.A, Karimi-Nejad, Y, De Beer, T, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | | 登録日 | 2000-02-18 | | 公開日 | 2000-02-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the alpha-subunit of human chorionic gonadotropin.
Eur.J.Biochem., 260, 1999
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