2QVO
 
 | | Crystal structure of AF1382 from Archaeoglobus fulgidus | | Descriptor: | Uncharacterized protein AF_1382 | | Authors: | Zhu, J, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2007-08-08 | | Release date: | 2007-09-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
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4WWP
 | | Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | Descriptor: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WWN
 | | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | | Descriptor: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WWO
 | | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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5KAE
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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7YR0
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface) | | Descriptor: | Heavy chain of S309, IGK@ protein, Spike protein S1, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQU
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQV
 | | pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR2
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1) | | Descriptor: | 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, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQT
 | | SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR1
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQX
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQW
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR3
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | | Descriptor: | 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, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQY
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQZ
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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4FJY
 | | Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-12 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
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4FJZ
 | | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-12 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
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3EQP
 | | Crystal Structure of Ack1 with compound T95 | | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | | Deposit date: | 2008-10-01 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3EQR
 | | Crystal Structure of Ack1 with compound T74 | | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | | Deposit date: | 2008-10-01 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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8G3C
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7DF1
 | | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | | Deposit date: | 2020-11-06 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice.
Nat Biomed Eng, 2022
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | Authors: | zhang, Y, Li, C.C, wu, X.S. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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6BI2
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