7DHK
 
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | | Descriptor: | 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DHV
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-17 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.679 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DJO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-20 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DL6
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Authors: | Wei, T, Xiao, J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7E5E
 | | Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20 | | Descriptor: | CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hu, Q, Dai, S, Shokat, K.M. | | Deposit date: | 2021-02-18 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 185, 2022
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7DVM
 | | DgkA structure in E.coli lipid bilayer | | Descriptor: | Diacylglycerol kinase | | Authors: | Li, J, Yang, J. | | Deposit date: | 2021-01-13 | | Release date: | 2022-04-13 | | Last modified: | 2023-09-27 | | Method: | SOLID-STATE NMR | | Cite: | Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
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8JIO
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7DTZ
 | | FGFR4 complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION | | Authors: | Chen, X.J, Dai, S.Y, Chen, Y.H. | | Deposit date: | 2021-01-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7DXI
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7EGV
 | | Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid | | Descriptor: | (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
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7EHE
 | | Acetolactate Synthase from Trichoderma harzianum | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Zang, X, Tang, Y, Zhou, J. | | Deposit date: | 2021-03-29 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
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7E4Z
 | | Crystal structure of tubulin in complex with Maytansinol | | Descriptor: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7E4Q
 | | Crystal structure of tubulin in complex with L-DM1-SMe | | Descriptor: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-14 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7E4R
 | | Crystal structure of tubulin in complex with D-DM1-SMe | | Descriptor: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-15 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7EYA
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7EY0
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7EZV
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7EY4
 | | Local CryoEM of the SARS-CoV-2 S6PV2 in complex with BD-667 | | Descriptor: | BD-667 H, BD-667 L, Spike glycoprotein, ... | | Authors: | Liu, P.L. | | Deposit date: | 2021-05-29 | | Release date: | 2021-09-08 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
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7UG2
 | | Crystal structure of the coiled-coil domain of TRIM75 | | Descriptor: | ACETYL GROUP, ISOPROPYL ALCOHOL, Tripartite motif-containing protein 75 | | Authors: | Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C. | | Deposit date: | 2022-03-23 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Structural studies of the coiled-coil domain of TRIM75 reveal a tetramer architecture facilitating its E3 ligase complex.
Comput Struct Biotechnol J, 20, 2022
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7VTP
 | | Cryo-EM structure of PYD-deleted human NLRP3 hexamer | | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2021-10-30 | | Release date: | 2022-03-09 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VAF
 | | Cryo-EM structure of Rat NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7VAG
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7VAD
 | | Cryo-EM structure of human NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7VAE
 | | Cryo-EM structure of bovine NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ... | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7W06
 | | Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate (SeMet labeled), Space group C121. | | Descriptor: | 2-methylidenebutanedioic acid, CHLORIDE ION, SULFATE ION, ... | | Authors: | Sun, P.K, Wang, B, Wang, Z.X, Qi, S, Li, X.J. | | Deposit date: | 2021-11-17 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
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