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2R56
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BU of 2r56 by Molmil
Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen
分子名称: Beta-lactoglobulin, DODECYL-BETA-D-MALTOSIDE, IgE Fab Fragment, ...
著者Niemi, M, Kallio, J.M, Hakulinen, N, Rouvinen, J.
登録日2007-09-03
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular interactions between a recombinant IgE antibody and the beta-lactoglobulin allergen.
Structure, 15, 2007
4CCB
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BU of 4ccb by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine
分子名称: 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2RGU
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Crystal structure of complex of human DPP4 and inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4
著者Nar, H, Himmelsbach, F, Eckhardt, M.
登録日2007-10-05
公開日2007-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes.
J.Med.Chem., 50, 2007
7KQX
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BU of 7kqx by Molmil
MIF Y99C homotrimeric mutant
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Manjula, R, Georgios, P, Lolis, E.J.
登録日2020-11-18
公開日2022-01-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies.
Front Mol Biosci, 9, 2022
2UXC
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BU of 2uxc by Molmil
Crystal structure of an extended tRNA anticodon stem loop in complex with its cognate mRNA UCGU in the context of the Thermus thermophilus 30S subunit.
分子名称: 16S RIBOSOMAL RNA, A-SITE MESSENGER RNA FRAGMENT CGGG, ANTICODON STEM-LOOP OF TRANSFER RNA WITH ANTICODON ACGA, ...
著者Dunham, C.M, Selmer, M, Phelps, S.S, Kelley, A.C, Suzuki, T, Joseph, S, Ramakrishnan, V.
登録日2007-03-28
公開日2007-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Trnas with an Expanded Anticodon Loop in the Decoding Center of the 30S Ribosomal Subunit.
RNA, 13, 2007
2V3T
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BU of 2v3t by Molmil
Structure of the ligand-binding core of the ionotropic glutamate receptor-like GluRdelta2 in the apo form
分子名称: CALCIUM ION, GLUTAMATE RECEPTOR DELTA-2 SUBUNIT SYNONYM GLURDELTA2, GLUR DELTA-2
著者Naur, P, Vestergaard, B, Gajhede, M, Kastrup, J.S.
登録日2007-06-22
公開日2007-08-07
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine.
Proc.Natl.Acad.Sci.USA, 104, 2007
2VF9
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BU of 2vf9 by Molmil
Crystal structure of bacteriophage PRR1
分子名称: CALCIUM ION, COAT PROTEIN
著者Persson, M, Tars, K, Liljas, L.
登録日2007-11-01
公開日2008-09-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The Capsid of the Small RNA Phage Prr1 is Stabilized by Metal Ions
J.Mol.Biol., 383, 2008
3MOZ
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BU of 3moz by Molmil
Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,2,3,5,6)pentakisphosphate
分子名称: (1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)], ACETATE ION, CHLORIDE ION, ...
著者Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
登録日2010-04-23
公開日2011-06-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate binding in protein-tyrosine phosphatase-like inositol polyphosphatases.
J.Biol.Chem., 287, 2012
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
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 the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4CDW
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BU of 4cdw by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4
分子名称: 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CEW
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD
分子名称: 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-12
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
6N9E
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BU of 6n9e by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
著者Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
登録日2018-12-03
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
4CDX
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BU of 4cdx by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12
分子名称: 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-07
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
6N9F
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BU of 6n9f by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
著者Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
登録日2018-12-03
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
4CD0
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BU of 4cd0 by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol
分子名称: (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-29
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
3MWW
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BU of 3mww by Molmil
Crystal structure of HCV NS5B polymerase
分子名称: 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid, Genome polyprotein, SULFATE ION
著者Coulombe, R.
登録日2010-05-06
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.
J.Am.Chem.Soc., 132, 2010
3RIO
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BU of 3rio by Molmil
Crystal structure of GlcT CAT-PRDI
分子名称: GLYCEROL, PtsGHI operon antiterminator
著者Himmel, S, Grosse, C, Wolff, S, Becker, S.
登録日2011-04-14
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of the RBD-PRDI fragment of the antiterminator protein GlcT.
Acta Crystallogr.,Sect.F, 68, 2012
4CDU
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BU of 4cdu by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
2B6A
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BU of 2b6a by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
分子名称: 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit
著者Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J.
登録日2005-09-30
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
TO BE PUBLISHED
6K9Y
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BU of 6k9y by Molmil
Crystal structure of human VAT-1
分子名称: NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog
著者Watanabe, Y, Endo, T.
登録日2019-06-19
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for interorganelle phospholipid transport mediated by VAT-1.
J.Biol.Chem., 295, 2020
2O6R
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BU of 2o6r by Molmil
Structural diversity of the hagfish Variable Lymphocyte Receptors B61
分子名称: Variable lymphocyte receptor B
著者Lee, J.O, Kim, H.M, Oh, S.C.
登録日2006-12-08
公開日2006-12-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural diversity of the hagfish variable lymphocyte receptors
J.Biol.Chem., 282, 2007
4CDQ
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BU of 4cdq by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2
分子名称: 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ...
著者DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-05
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
2O14
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BU of 2o14 by Molmil
X-Ray Crystal Structure of Protein YXIM_BACsu from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR595
分子名称: Hypothetical protein yxiM, MANGANESE (II) ION, SULFATE ION
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-28
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray structure of the hypothetical protein YXIM_BACsu from Bacillus subtilis.
To be Published
3R2C
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BU of 3r2c by Molmil
Crystal Structure of Antitermination Factors NusB and NusE in complex with BoxA RNA
分子名称: 30S ribosomal protein S10, 5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3', ACETATE ION, ...
著者Stagno, J.R, Ji, X.
登録日2011-03-14
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural basis for RNA recognition by NusB and NusE in the initiation of transcription antitermination.
Nucleic Acids Res., 39, 2011
2OAC
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Mouse C14A Glutathione-S-Transferase Mutant in Complex with S-(p-nitrobenzyl) Glutathione
分子名称: Glutathione S-transferase P 1, S-(P-NITROBENZYL)GLUTATHIONE
著者Kyrieleis, O.J, McManus, G, Mantle, T.J, Khan, A.R.
登録日2006-12-15
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Kinetic Analyses of Glutathione S-Transferase Mutants
TO BE PUBLISHED

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