1C0Q
 
 | | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | | 分子名称: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | | 著者 | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | | 登録日 | 1999-07-20 | | 公開日 | 1999-07-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
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3EVJ
 | | Intermediate structure of antithrombin bound to the natural pentasaccharide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | | 著者 | Huntington, J.A, Belzar, K.J. | | 登録日 | 2008-10-13 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The critical role of hinge-region expulsion in the induced-fit heparin binding mechanism of antithrombin.
J. Mol. Biol., 386, 2009
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1M0M
 | | BACTERIORHODOPSIN M1 INTERMEDIATE AT 1.43 A RESOLUTION | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | | 著者 | Lanyi, J.K. | | 登録日 | 2002-06-13 | | 公開日 | 2002-09-11 | | 最終更新日 | 2015-09-09 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystallographic structure of the retinal and the protein after deprotonation of the Schiff base: the switch in the bacteriorhodopsin photocycle.
J.Mol.Biol., 321, 2002
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4P0I
 | | Structure of the PBP NocT | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein | | 著者 | Vigouroux, A, Morera, S. | | 登録日 | 2014-02-21 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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5OVZ
 | | High resolution structure of the PBP NocT in complex with nopaline | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | | 著者 | Vigouroux, A, Morera, S. | | 登録日 | 2017-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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4POW
 | | Structure of the PBP NocT in complex with pyronopaline | | 分子名称: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | | 著者 | Morera, S, Vigouroux, A. | | 登録日 | 2014-02-26 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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4PP0
 | | Structure of the PBP NocT-M117N in complex with pyronopaline | | 分子名称: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Morera, S, Vigouroux, A. | | 登録日 | 2014-02-26 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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5ITP
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5ITO
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4R4H
 | | Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 Env gp120 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c, Heavy chain, ... | | 著者 | Mclellan, J, Acharya, P, Huang, C.-C, Kwong, P.D. | | 登録日 | 2014-08-19 | | 公開日 | 2014-09-17 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (4.28 Å) | | 主引用文献 | Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
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4WAF
 | | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | | 分子名称: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A. | | 登録日 | 2014-08-29 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5D9K
 | | Rsk2 N-terminal Kinase in Complex with BI-D1870 | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | | 著者 | Appleton, B.A. | | 登録日 | 2015-08-18 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
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4KZ0
 | | Structure of PI3K gamma with Imidazopyridine inhibitors | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | | 著者 | Knapp, M.S, Elling, R.A. | | 登録日 | 2013-05-29 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
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4KZC
 | | Structure of PI3K gamma with Imidazopyridine inhibitors | | 分子名称: | N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Knapp, M.S, Elling, E.A. | | 登録日 | 2013-05-29 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
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5DWR
 | | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | | 分子名称: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | | 登録日 | 2015-09-22 | | 公開日 | 2015-11-11 | | 最終更新日 | 2015-11-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
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8H0F
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8H0E
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5GSX
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | | 分子名称: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GSV
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 | | 分子名称: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GR7
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-08 | | 公開日 | 2017-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GSR
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | | 分子名称: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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8GZO
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7VEG
 | | Understanding NH-pi interaction between Gln and Phe | | 分子名称: | (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide | | 著者 | Fan, S, Xu, F. | | 登録日 | 2021-09-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.385 Å) | | 主引用文献 | Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
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7BWJ
 | | crystal structure of SARS-CoV-2 antibody with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | 著者 | Wang, X, Ge, J. | | 登録日 | 2020-04-14 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
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4UX6
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | | 著者 | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | 登録日 | 2014-08-19 | | 公開日 | 2014-10-08 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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