8TXH
| Crystal structure of KRAS G12D in complex with GDP and compound 14 | 分子名称: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Chen, P, Irimia, A, Yang, Z. | 登録日 | 2023-08-23 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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4LNR
| The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY) | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | 著者 | Cheng, H, Shi, Y, Qi, J, Gao, G.F. | 登録日 | 2013-07-12 | 公開日 | 2014-07-23 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex. J.Biol.Chem., 289, 2014
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5JHL
| Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | 分子名称: | Antibody Heavy chain, antibody Light chain, envelope protein | 著者 | Dai, L, Shi, Y, Qi, J, Gao, G.F. | 登録日 | 2016-04-21 | 公開日 | 2016-05-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody. Cell Host Microbe, 19, 2016
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4EZ5
| CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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4FA6
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4FAD
| Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR | 分子名称: | 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M. | 登録日 | 2012-05-22 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22, 2012
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8ITU
| SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG. | 分子名称: | 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | 登録日 | 2023-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | 主引用文献 | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
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4AUA
| Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | 分子名称: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | 著者 | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | 登録日 | 2012-05-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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2RJK
| Crystal Structure of Human TL1A Extracellular Domain C95S Mutant | 分子名称: | TNF superfamily ligand TL1A | 著者 | Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Ramagopal, U.A, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C. | 登録日 | 2007-10-15 | 公開日 | 2008-08-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Biochemical and structural characterization of the human TL1A ectodomain. Biochemistry, 48, 2009
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5XOV
| Crystal structure of peptide-HLA-A24 bound to S19-2 V-delta/V-beta TCR | 分子名称: | Beta-2-microglobulin, HIV-1 Nef138-10 peptide, HLA class I histocompatibility antigen, ... | 著者 | Shi, Y, Qi, J, Gao, G.F. | 登録日 | 2017-05-31 | 公開日 | 2017-06-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.684 Å) | 主引用文献 | Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs. J. Virol., 91, 2017
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2RJL
| Crystal structure of human TL1A extracellular domain C95S/C135S mutant | 分子名称: | TNF superfamily ligand TL1A | 著者 | Zhan, C, Patskovsky, Y, Yan, Q, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C. | 登録日 | 2007-10-15 | 公開日 | 2008-08-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Biochemical and structural characterization of the human TL1A ectodomain. Biochemistry, 48, 2009
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5JHM
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4UMX
| IDH1 R132H in complex with cpd 1 | 分子名称: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | 著者 | Mathieu, M, Marquette, J.P. | 登録日 | 2014-05-22 | 公開日 | 2014-11-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4UMY
| IDH1 R132H in complex with cpd 1 | 分子名称: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | McLean, L, Zhang, Y, Mathieu, M. | 登録日 | 2014-05-22 | 公開日 | 2014-11-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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7C02
| Crystal structure of dimeric MERS-CoV receptor binding domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Dai, L, Qi, J, Gao, G.F. | 登録日 | 2020-04-30 | 公開日 | 2020-07-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS. Cell, 182, 2020
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3OAW
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3DBN
| Crystal structure of the Streptoccocus suis serotype2 D-mannonate dehydratase in complex with its substrate | 分子名称: | D-MANNONIC ACID, MANGANESE (II) ION, Mannonate dehydratase | 著者 | Peng, H, Zhang, Q, Gao, F, Gao, G.F. | 登録日 | 2008-06-02 | 公開日 | 2009-06-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism J.Bacteriol., 191, 2009
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3CXR
| Crystal structure of gluconate 5-dehydrogase from streptococcus suis type 2 | 分子名称: | Dehydrogenase with different specificities | 著者 | Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F. | 登録日 | 2008-04-25 | 公開日 | 2009-03-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insight into the catalytic mechanism of gluconate 5-dehydrogenase from Streptococcus suis: Crystal structures of the substrate-free and quaternary complex enzymes. Protein Sci., 18, 2009
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4IAN
| Crystal Structure of apo Human PRPF4B kinase domain | 分子名称: | SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | 著者 | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | 登録日 | 2012-12-06 | 公開日 | 2013-08-28 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IFC
| Crystal Structure of ADP-bound Human PRPF4B kinase domain | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | 著者 | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | 登録日 | 2012-12-14 | 公開日 | 2013-08-28 | 最終更新日 | 2013-11-06 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IJP
| Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | 分子名称: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | 著者 | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | 登録日 | 2012-12-22 | 公開日 | 2013-08-28 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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3FVM
| Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++ | 分子名称: | MANGANESE (II) ION, Mannonate dehydratase | 著者 | Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G. | 登録日 | 2009-01-16 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism J.Bacteriol., 191, 2009
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4IIR
| Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | 著者 | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | 登録日 | 2012-12-20 | 公開日 | 2013-08-28 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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3O03
| Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 | 分子名称: | CALCIUM ION, D-gluconic acid, Dehydrogenase with different specificities, ... | 著者 | Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F. | 登録日 | 2010-07-18 | 公開日 | 2010-12-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Insight Into the Catalytic Mechanism of Gluconate 5-Dehydrogenase from Streptococcus Suis: Crystal Structures of the Substrate-Free and Quaternary Complex Enzymes. Protein Sci., 18, 2009
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5UG8
| Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 分子名称: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | 著者 | Gajiwala, K.S, Ferre, R.A. | 登録日 | 2017-01-07 | 公開日 | 2017-03-22 | 最終更新日 | 2017-04-26 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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