5UIT
 
 | | Crystal structure of IRAK4 in complex with compound 14 | | Descriptor: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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4I0D
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4I12
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I1C
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-03-06 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0E
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4I0F
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6TWN
 | | Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223) | | Descriptor: | CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ... | | Authors: | Zacharchenko, T, Muench, S.P, Goult, B.T. | | Deposit date: | 2020-01-13 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1.
J.Biol.Chem., 297, 2021
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7D3T
 | | Crystal structure of OSPHR2 in complex with DNA | | Descriptor: | DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2 | | Authors: | Guan, Z.Y, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-20 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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7D3Y
 | | Crystal structure of the osPHR2-osSPX2 complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1 | | Authors: | Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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2ROV
 | | The split PH domain of ROCK II | | Descriptor: | Rho-associated protein kinase 2 | | Authors: | Wen, W, Zhang, M. | | Deposit date: | 2008-04-25 | | Release date: | 2008-06-24 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | The split PH domain of ROCK II
To be Published
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2ROW
 | | The C1 domain of ROCK II | | Descriptor: | Rho-associated protein kinase 2, ZINC ION | | Authors: | Wen, W, Zhang, M. | | Deposit date: | 2008-04-25 | | Release date: | 2008-06-24 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | The C1 domain of ROCK II
To be Published
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2FJL
 | | Solution Structure of the Split PH domain in Phospholipase C-gamma1 | | Descriptor: | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1 | | Authors: | Wen, W, Zhang, M. | | Deposit date: | 2006-01-03 | | Release date: | 2006-03-14 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of the Split Pleckstrin Homology Domain in Phospholipase C-{gamma}1 and Its Interaction with TRPC3
J.Biol.Chem., 281, 2006
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7C9O
 | | Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2) | | Descriptor: | DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ... | | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
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7C8J
 | | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | | Descriptor: | Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION | | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | | Deposit date: | 2020-06-01 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7C9P
 | | Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2 | | Descriptor: | Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2 | | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
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7C8K
 | | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | | 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, ... | | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | | Deposit date: | 2020-06-02 | | Release date: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7YG4
 | | Structure of WTAP-VIRMA in the m6A writer complex | | Descriptor: | Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog | | Authors: | Yan, X.H, Guan, Z.Y, Tang, C, Yin, P. | | Deposit date: | 2022-07-11 | | Release date: | 2022-11-23 | | Last modified: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | AI-empowered integrative structural characterization of m 6 A methyltransferase complex.
Cell Res., 32, 2022
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7YFJ
 | | Crystal structure of human WTAP | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pre-mRNA-splicing regulator WTAP | | Authors: | Yan, X.H, Guan, Z.Y, Tang, C, Yin, P. | | Deposit date: | 2022-07-08 | | Release date: | 2023-01-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | AI-empowered integrative structural characterization of m6A methyltransferase complex
Cell Res., 32, 2022
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7Y77
 | | Crystal structure of rice NAL1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1 | | Authors: | Yan, J.J, Guan, Z.Y, Yin, P, Xiong, L.Z. | | Deposit date: | 2022-06-21 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Serine protease NAL1 exerts pleiotropic functions through degradation of TOPLESS-related corepressor in rice.
Nat.Plants, 9, 2023
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5X4S
 | | Structure of the N-terminal domain (NTD)of SARS-CoV spike protein | | 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: | Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F. | | Deposit date: | 2017-02-14 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
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7F7E
 | | SARS-CoV-2 S protein RBD in complex with A5-10 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ... | | Authors: | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | | Deposit date: | 2021-06-29 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants.
Emerg Microbes Infect, 11, 2022
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7C8D
 | | Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD | | Descriptor: | Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION | | Authors: | Gao, G.F, Wang, Q.H, Wu, L.l. | | Deposit date: | 2020-05-29 | | Release date: | 2020-09-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
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6AEE
 | | Crystal structure of the four Ig-like domains of LILRB1 complexed with HLA-G | | Descriptor: | 9 Mer Peptide (RL9) From Histone H2A.x, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Wang, Q, Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2018-08-04 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structures of the four Ig-like domain LILRB2 and the four-domain LILRB1 and HLA-G1 complex.
Cell. Mol. Immunol., 2019
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6AED
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