5XVG
 
 | | Crystal Structure of PAK4 in complex with inhibitor CZH226 | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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5XVF
 | | Crystal Structure of PAK4 in complex with inhibitor CZH062 | | Descriptor: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4 | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.655 Å) | | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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8I3U
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | | Authors: | Li, Z, Yu, F, Cao, S. | | Deposit date: | 2023-01-18 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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8I3S
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | | Authors: | Li, Z, Yu, F, Cao, S, ZHao, H. | | Deposit date: | 2023-01-17 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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6DUB
 | | Crystal structure of a methyltransferase | | Descriptor: | Alpha N-terminal protein methyltransferase 1B, GLYCEROL, RCC1, ... | | Authors: | Dong, C, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-20 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
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5DHV
 | | HIV-1 Rev NTD dimers with variable crossing angles | | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ... | | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | | Deposit date: | 2015-08-31 | | Release date: | 2016-06-22 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
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5DHX
 | | HIV-1 Rev NTD dimers with variable crossing angles | | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, light chain,Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, ... | | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | | Deposit date: | 2015-08-31 | | Release date: | 2016-06-22 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
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5DHY
 | | HIV-1 Rev NTD dimers with variable crossing angles | | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ... | | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | | Deposit date: | 2015-08-31 | | Release date: | 2016-06-22 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
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5DHZ
 | | HIV-1 Rev NTD dimers with variable crossing angles | | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ... | | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | | Deposit date: | 2015-08-31 | | Release date: | 2016-06-29 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
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5E1M
 | | Crystal structure of NTMT1 in complex with PPKRIA peptide | | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
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5E2A
 | | Crystal structure of NTMT1 in complex with N-terminally methylated SPKRIA peptide | | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-30 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
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6NI3
 | | B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex | | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | | Deposit date: | 2018-12-26 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
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6NI2
 | | Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex | | Descriptor: | Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ... | | Authors: | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | | Deposit date: | 2018-12-26 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
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8G6U
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ... | | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | Deposit date: | 2023-02-16 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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6LB9
 | | Magnesium ion-bound SspB crystal structure | | Descriptor: | DUF4007 domain-containing protein, MAGNESIUM ION | | Authors: | Liqiong, L, Yubing, Z. | | Deposit date: | 2019-11-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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6M08
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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6M07
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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6M06
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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8HOA
 | | ScRIPK mutant K124R | | Descriptor: | (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ... | | Authors: | Fang, J.L, Zhang, M.Q, Ming, Z.H. | | Deposit date: | 2022-12-09 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.676 Å) | | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
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8HO6
 | | ScRIPK WT | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein | | Authors: | Fang, J.L, Zhang, M.Q. | | Deposit date: | 2022-12-09 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
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8HOD
 | | ScRIPK MUTANT-S253A, T254A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein | | Authors: | Fang, J.L, Zhang, M.Q. | | Deposit date: | 2022-12-09 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
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8FS1
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
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8FS2
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
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8DFL
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7KPU
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