3M61
| Crystal structure of complex of urokinase and a upain-1 variant(W3A) in pH4.6 condition | 分子名称: | Urokinase-type plasminogen activator, upain-1 W3A | 著者 | Jiang, L, Yuan, C, Wind, T, Andreasen, P.A, Chen, L, Meehan, E.J, Huang, M. | 登録日 | 2010-03-15 | 公開日 | 2010-04-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal structure of complex of urokinase and a upain-1 variant(W3A) in pH4.6 condition TO BE PUBLISHED
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4KAM
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3D9Z
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-05-28 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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5ZTZ
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4KBN
| human dihydrofolate reductase complexed with NADPH and 5-{3-[3-(3,5-pyrimidine)]-phenyl-prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4diamine | 分子名称: | 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, AMMONIUM ION, CHLORIDE ION, ... | 著者 | Lamb, K.M, Anderson, A.C. | 登録日 | 2013-04-23 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase. Biochemistry, 52, 2013
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3DCQ
| LECB (PA-LII) in complex with the synthetic ligand 2G0 | 分子名称: | (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, CALCIUM ION, Fucose-binding lectin PA-IIL | 著者 | Johansson, E.M, Crusz, S.A, Kolomiets, E, Buts, L, Kadam, R.U, Cacciarini, M, Bartels, K.M, Diggle, S.P, Camara, M, Williams, P, Loris, R, Nativi, C, Rosenau, F, Jaeger, K.E, Darbre, T, Reymond, J.L. | 登録日 | 2008-06-04 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB. Chem.Biol., 15, 2008
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3M8J
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4W4N
| Crystal structure of human Fc at 1.80 A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. | 登録日 | 2014-08-15 | 公開日 | 2015-04-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
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3M8Q
| HIV-1 RT with AMINOPYRIMIDINE NNRTI | 分子名称: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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6AC6
| Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd | 分子名称: | Mycobacterium smegmatis Mfd, SULFATE ION | 著者 | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | 登録日 | 2018-07-25 | 公開日 | 2019-08-28 | 実験手法 | X-RAY DIFFRACTION (2.989 Å) | 主引用文献 | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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3DB6
| Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | 分子名称: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | 著者 | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | 登録日 | 2008-05-30 | 公開日 | 2008-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme. Acta Crystallogr.,Sect.F, 64, 2008
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3M6O
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4ULX
| Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant. | 分子名称: | CHLORIDE ION, LPBCA-L89K THIOREDOXIN | 著者 | Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | 登録日 | 2014-05-14 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History. Mol.Biol.Evol., 32, 2015
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4KC9
| Structure of HHARI, a RING-IBR-RING ubiquitin ligase: autoinhibition of an Ariadne-family E3 and insights into ligation mechanism | 分子名称: | E3 ubiquitin-protein ligase ARIH1, ZINC ION | 著者 | Duda, D.M, Olszewski, J.L, Schulman, B.A. | 登録日 | 2013-04-24 | 公開日 | 2013-05-29 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (3.603 Å) | 主引用文献 | Structure of HHARI, a RING-IBR-RING Ubiquitin Ligase: Autoinhibition of an Ariadne-Family E3 and Insights into Ligation Mechanism. Structure, 21, 2013
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3DBE
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3DBS
| Structure of PI3K gamma in complex with GDC0941 | 分子名称: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Wiesmann, C, Ultsch, M. | 登録日 | 2008-06-02 | 公開日 | 2008-06-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer J.Med.Chem., 51, 2008
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3M7N
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3M9B
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4KCH
| Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-([1,1'-biphenyl]-3,3'-diyl)bis(thiophene-2-carboximidamide) | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2013-04-24 | 公開日 | 2014-02-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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3DDT
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4KDD
| Structure of Mycobacterium tuberculosis ribosome recycling factor in presence of detergent | 分子名称: | CADMIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Ribosome-recycling factor | 著者 | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | 登録日 | 2013-04-24 | 公開日 | 2014-03-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants. J.Biosci., 38, 2013
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3MB9
| Human Aldose Reductase mutant T113A complexed with Zopolrestat | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-03-25 | 公開日 | 2011-03-09 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase Biochim.Biophys.Acta, 1810, 2011
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3MBL
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4KMM
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3DCS
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-06-04 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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