4Q2V
 
 | | Crystal Structure of Ricin A chain complexed with Baicalin inhibitor | | 分子名称: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin | | 著者 | Deng, X, Li, X, Dong, J, Chen, Y. | | 登録日 | 2014-04-10 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
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8D6E
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | | 分子名称: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | 登録日 | 2022-06-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6D
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | | 分子名称: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | 登録日 | 2022-06-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6F
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 | | 分子名称: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION | | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | 登録日 | 2022-06-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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3IJJ
 | | Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) | | 分子名称: | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ... | | 著者 | Crichlow, G.V, Cho, Y, Lolis, E.J. | | 登録日 | 2009-08-04 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1MR7
 | | Crystal Structure of Streptogramin A Acetyltransferase | | 分子名称: | Streptogramin A Acetyltransferase | | 著者 | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | | 登録日 | 2002-09-18 | | 公開日 | 2003-08-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens
J.Biol.Chem., 278, 2003
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8D6C
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | | 分子名称: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | 登録日 | 2022-06-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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1N49
 | | Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy | | 分子名称: | Protease, RITONAVIR | | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | 登録日 | 2002-10-30 | | 公開日 | 2003-01-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant:
Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
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6LU5
 | | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | | 分子名称: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | 登録日 | 2020-01-25 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.86527729 Å) | | 主引用文献 | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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6LU6
 | | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | | 分子名称: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | 登録日 | 2020-01-26 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.970063 Å) | | 主引用文献 | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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3IJG
 | | Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 | | 分子名称: | (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor | | 著者 | Crichlow, G.V, Cho, Y, Lolis, E.J. | | 登録日 | 2009-08-04 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1MXN
 | | Solution structure of alpha-conotoxin AuIB | | 分子名称: | alpha-conotoxin AuIB | | 著者 | Dutton, J.L, Bansal, P.S, Hogg, R.C, Adams, D.J, Alewood, P.F, Craik, D.J. | | 登録日 | 2002-10-02 | | 公開日 | 2002-12-30 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A New Level of Conotoxin Diversity, a Non-native Disulfide Bond Connectivity in alpha -Conotoxin AuIB Reduces Structural Definition but Increases Biological Activity.
J.Biol.Chem., 277, 2002
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4PYI
 | | human apo COMT | | 分子名称: | Catechol O-methyltransferase, SODIUM ION | | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2014-03-27 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
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8DC1
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8JJE
 | | RBD of SARS-CoV2 spike protein with ACE2 decoy | | 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, Angiotensin-converting enzyme 2, ... | | 著者 | Kishikawa, J, Hirose, M, Kato, T, Okamoto, T. | | 登録日 | 2023-05-30 | | 公開日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
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3IJE
 | | Crystal structure of the complete integrin alhaVbeta3 ectodomain plus an Alpha/beta transmembrane fragment | | 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, CALCIUM ION, ... | | 著者 | Xiong, J.-P, Mahalingham, B, Rui, X, Hyman, B.T, Goodman, S.L, Arnaout, M.A. | | 登録日 | 2009-08-04 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the complete integrin alphaVbeta3 ectodomain plus an alpha/beta transmembrane fragment.
J.Cell Biol., 186, 2009
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6MOM
 | | Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591) | | 分子名称: | 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4 | | 著者 | Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C. | | 登録日 | 2018-10-04 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
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8JEL
 | | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I | | 分子名称: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | | 著者 | Sun, J, Zhang, X.X, Song, J. | | 登録日 | 2023-05-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
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8J40
 | | Crystal Structure of CATB8 in complex with chloramphenicol | | 分子名称: | CHLORAMPHENICOL, CatB8, GLYCEROL, ... | | 著者 | Liao, J, Kuang, L, Jiang, Y. | | 登録日 | 2023-04-18 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8.
Acs Infect Dis., 10, 2024
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8JEQ
 | | Crystal structure of Tiragolumab | | 分子名称: | antibody heavy chain, antibody light chain | | 著者 | Sun, J, Zhang, X.X, Song, J. | | 登録日 | 2023-05-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
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8JEP
 | | Crystal structure of Ociperlimab | | 分子名称: | antibody heavy chain, antibody light chain | | 著者 | Sun, J, Zhang, X.X, Song, J. | | 登録日 | 2023-05-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
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8JEN
 | | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II | | 分子名称: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | | 著者 | Sun, J, Zhang, X.X, Song, J. | | 登録日 | 2023-05-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
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8JEO
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3J05
 | | Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab | | 分子名称: | envelope protein | | 著者 | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A. | | 登録日 | 2011-04-01 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | The structural basis for serotype-specific neutralization of dengue virus by a human antibody.
Sci Transl Med, 4, 2012
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | 分子名称: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | | 著者 | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | 登録日 | 2023-04-06 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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