1JO3
 
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4MTI
 | | Crystal structure of cIAP1 BIR3 bound to T3258042 | | 分子名称: | (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | 著者 | Snell, G.P, Dougan, D.R. | | 登録日 | 2013-09-19 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
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1JP9
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3ZJU
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation | | 分子名称: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | 著者 | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | 登録日 | 2013-01-18 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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5B0X
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1Y3C
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R62A mutant | | 分子名称: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | 著者 | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | 登録日 | 2004-11-24 | | 公開日 | 2005-05-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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5DZV
 | | Protocadherin alpha 7 extracellular cadherin domains 1-5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ... | | 著者 | Goodman, K.M, Bahna, F, Honig, B, Shapiro, L. | | 登録日 | 2015-09-26 | | 公開日 | 2016-05-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
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3LC4
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5HGL
 | | Hexameric HIV-1 CA, open conformation | | 分子名称: | CHLORIDE ION, Capsid protein P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2016-01-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
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5DM0
 | | Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic desmethylPZN analog and SAH | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate, ... | | 著者 | Hao, Y, Nair, S.K. | | 登録日 | 2015-09-07 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
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4B1X
 | | Structure of the Phactr1 RPEL-2 bound to G-actin | | 分子名称: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | | 登録日 | 2012-07-12 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
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1YXN
 | | Pseudo-atomic model of a fiberless isometric variant of bacteriophage phi29 | | 分子名称: | Major head protein | | 著者 | Morais, M.C, Choi, K.H, Koti, J.S, Chipman, P.R, Anderson, D.L, Rossmann, M.G. | | 登録日 | 2005-02-22 | | 公開日 | 2005-04-26 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (7.9 Å) | | 主引用文献 | Conservation of the Capsid Structure in Tailed dsDNA Bacteriophages: the Pseudoatomic Structure of phi29
Mol.Cell, 18, 2005
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5HQ8
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4B1Y
 | | Structure of the Phactr1 RPEL-3 bound to G-actin | | 分子名称: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | | 登録日 | 2012-07-12 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
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5EBT
 | | Tankyrase 1 with Phthalazinone 2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | | 著者 | Kazmirski, S.L, Johannes, J. | | 登録日 | 2015-10-19 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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3ZYS
 | | Human dynamin 1 deltaPRD polymer stabilized with GMPPCP | | 分子名称: | DYNAMIN-1, INTERFERON-INDUCED GTP-BINDING PROTEIN MX1 | | 著者 | Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F. | | 登録日 | 2011-08-24 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (12.2 Å) | | 主引用文献 | A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke.
Cell(Cambridge,Mass.), 147, 2011
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3ZQ8
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3KOH
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3ZJV
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | | 分子名称: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | | 著者 | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | 登録日 | 2013-01-18 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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4NAT
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | | 分子名称: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Lahiri, S.D. | | 登録日 | 2013-10-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4NAU
 | | S. aureus CoaD with Inhibitor | | 分子名称: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | 著者 | Lahiri, S.D. | | 登録日 | 2013-10-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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3ZVY
 | | PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... | | 著者 | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | | 登録日 | 2011-07-28 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
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3LU6
 | | Human serum albumin in complex with compound 1 | | 分子名称: | Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | | 著者 | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | | 登録日 | 2010-02-17 | | 公開日 | 2010-10-27 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18, 2010
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3L8L
 | | Gramicidin D complex with sodium iodide | | 分子名称: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | 著者 | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Wawrzak, Z, Duax, W.L. | | 登録日 | 2009-12-31 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex.
Acta Crystallogr.,Sect.D, 66, 2010
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2A1N
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