4URR
 
 | | Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment | | 分子名称: | 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ... | | 著者 | Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S. | | 登録日 | 2014-07-01 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
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7C2V
 | | Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948 | | 分子名称: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Krishnamurthy, N.R, Robert, B. | | 登録日 | 2020-05-09 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
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7C2W
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5WB6
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-06-28 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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4BI6
 | | CRYSTAL STRUCTURE OF A TRIPLE MUTANT (A198V, C202A AND C222N) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. COMPLEXED WITH 2- PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE | | 著者 | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | | 登録日 | 2013-04-09 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
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4BI7
 | | CRYSTAL STRUCTURE OF A MUTANT (C202A) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | | 著者 | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | | 登録日 | 2013-04-09 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
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4BI5
 | | CRYSTAL STRUCTURE OF A DOUBLE MUTANT (C202A AND C222D) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. | | 分子名称: | TRIOSEPHOSPHATE ISOMERASE | | 著者 | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | | 登録日 | 2013-04-09 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
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6QM8
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6QM7
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6QYQ
 | | Crystal structure of human thymidylate synthase (hTS) variant R175C | | 分子名称: | CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | 著者 | Pozzi, C, Mangani, M. | | 登録日 | 2019-03-09 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors.
Molecules, 24, 2019
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6QXH
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6QXG
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6QXS
 | | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP | | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | 著者 | Pozzi, C, Mangani, M. | | 登録日 | 2019-03-07 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Molecules, 24, 2019
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6WY1
 | | Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope | | 著者 | Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. | | 登録日 | 2020-05-12 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | | 主引用文献 | Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies.
Sci Adv, 7, 2021
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5WKL
 | | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | | 分子名称: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | 登録日 | 2017-07-25 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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6QET
 | | [41-82]Gga-AvBD11 | | 分子名称: | Gallinacin-11 | | 著者 | Meudal, H, Loth, K, Delmas, A.F, Landon, C. | | 登録日 | 2019-01-08 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure, function, and evolution ofGga-AvBD11, the archetype of the structural avian-double-beta-defensin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6QEU
 | | Gga-AvBD11 (Avian beta-defensin 11 from Gallus gallus) | | 分子名称: | Gallinacin-11 | | 著者 | Meudal, H, Loth, K, Delmas, A.F, Landon, C. | | 登録日 | 2019-01-08 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure, function, and evolution ofGga-AvBD11, the archetype of the structural avian-double-beta-defensin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1R8Y
 | | Crystal Structure of Mouse Glycine N-Methyltransferase (Monoclinic Form) | | 分子名称: | BETA-MERCAPTOETHANOL, glycine N-methyltransferase | | 著者 | Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E. | | 登録日 | 2003-10-28 | | 公開日 | 2004-09-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
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4UT5
 | | Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide | | 分子名称: | CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ... | | 著者 | Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B. | | 登録日 | 2014-07-18 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa.
Front.Microbiol., 7, 2016
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1R74
 | | Crystal Structure of Human Glycine N-Methyltransferase | | 分子名称: | BETA-MERCAPTOETHANOL, CITRIC ACID, Glycine N-methyltransferase | | 著者 | Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E. | | 登録日 | 2003-10-17 | | 公開日 | 2004-09-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
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1R8X
 | | Crystal Structure of Mouse Glycine N-Methyltransferase (Tetragonal Form) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, glycine N-methyltransferase | | 著者 | Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E. | | 登録日 | 2003-10-28 | | 公開日 | 2004-09-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
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4ZLO
 | | Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 | | 分子名称: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 | | 著者 | Bellamacina, C.R, Bussiere, D.E. | | 登録日 | 2015-05-01 | | 公開日 | 2015-08-05 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
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5KTU
 | | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | | 分子名称: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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6WNU
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6WNI
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