7YW5
 
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8DI5
 | | Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6 | | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S. | | Deposit date: | 2022-06-28 | | Release date: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
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7BWT
 | | SopD-Rab8 complex structure | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jiang, K, Tong, M, Chen, Z, Gao, X. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Salmonella effector protein SopD targets Rab8 to positively and negatively modulate the inflammatory response.
Nat Microbiol, 6, 2021
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5H24
 | | EED in complex with PRC2 allosteric inhibitor compound 8 | | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-14 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
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5H25
 | | EED in complex with PRC2 allosteric inhibitor compound 11 | | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-14 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
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5VO2
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5VO1
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8BI2
 | | Syk kinase domain in complex with macrocyclic inhibitor 20a | | Descriptor: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | | Authors: | Read, J.A, Patel, J. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
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1MKT
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4XU5
 | | Crystal structure of MvINS bound to a bromine-derived 14C Diacylglycerol (DAG) at 2.1A resolution | | Descriptor: | (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate, DECANE, Uncharacterized protein, ... | | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | | Deposit date: | 2015-01-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
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4XU4
 | | Crystal structure of a mycobacterial Insig homolog MvINS from Mycobacterium vanbaalenii at 1.9A resolution | | Descriptor: | DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Uncharacterized protein, nonyl beta-D-glucopyranoside | | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | | Deposit date: | 2015-01-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
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4XU6
 | | Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution | | Descriptor: | N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside | | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | | Deposit date: | 2015-01-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
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1KVX
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4ES4
 | | Crystal structure of YdiV and FlhD complex | | Descriptor: | Flagellar transcriptional regulator FlhD, Putative cyclic di-GMP regulator CdgR | | Authors: | Li, B, Gu, L. | | Deposit date: | 2012-04-22 | | Release date: | 2012-10-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
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8XKN
 | | Cryo-EM structure of tail tube protein | | Descriptor: | a protein | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-12-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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8W56
 | | Cryo-EM structure of DSR2-DSAD1 state 1 | | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-08-25 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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8YJY
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8WKN
 | | Cryo-EM structure of DSR2-DSAD1 | | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | | Authors: | Zhang, H, Li, Z, Li, X.Z. | | Deposit date: | 2023-09-28 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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5CEO
 | | DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile | | Descriptor: | 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | HARRIS, S.F, YIN, J. | | Deposit date: | 2015-07-07 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
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5CEN
 | | Crystal structure of DLK (kinase domain) | | Descriptor: | Mitogen-activated protein kinase kinase kinase 12 | | Authors: | HARRIS, S.F, YIN, J. | | Deposit date: | 2015-07-07 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
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6BH3
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6BGW
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGV
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH5
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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5CEP
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