6J7P
 
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis | | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2019-01-18 | | Release date: | 2020-05-13 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (2.629 Å) | | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
|
|
6J7Q
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis | | Descriptor: | CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin | | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2019-01-18 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
|
|
7NAI
 | | Crystal structure of the TIR domain from human SARM1 in complex with 3AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
7NAK
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) | | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
7NAG
 | | Crystal structure of the TIR domain from human SARM1 in complex with 1AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Bosanac, T, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
7NAH
 | | Crystal structure of the TIR domain from human SARM1 in complex with 2AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
7NAJ
 | | Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR | | Descriptor: | 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
7NAL
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains) | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1 | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
|
|
4DBH
 | | Crystal structure of Cg1458 with inhibitor | | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION, OXALATE ION | | Authors: | Ran, T.T, Wang, W.W, Xu, D.Q, Gao, Y.Y. | | Deposit date: | 2012-01-15 | | Release date: | 2012-11-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
|
|
4DBF
 | | Crystal structures of Cg1458 | | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION | | Authors: | Ran, T.T, Xu, D.Q, Wang, W.W, Gao, Y.Y, Wang, M.T. | | Deposit date: | 2012-01-15 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
|
|
4PH4
 | | The crystal structure of Human VPS34 in complex with PIK-III | | Descriptor: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2014-05-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
|
|
2QHM
 | | crystal structure of Chek1 in complex with inhibitor 2a | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Munshi, S. | | Deposit date: | 2007-07-02 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
3SWJ
 | | Crystal structure of Campylobacter jejuni ChuZ | | Descriptor: | AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein | | Authors: | Hu, Y. | | Deposit date: | 2011-07-14 | | Release date: | 2011-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
|
|
2QHN
 | | Crystal Structure of Chek1 in Complex with Inhibitor 1a | | Descriptor: | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Munshi, S. | | Deposit date: | 2007-07-02 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2R0U
 | | Crystal Structure of Chek1 in Complex with Inhibitor 54 | | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Ikuta, M. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
8X4Z
 | | BA.2.86 Spike Trimer with ins483V mutation (3 RBD down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X56
 | | BA.2.86 Spike Trimer with T356K mutation (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8WHZ
 | | BA.2.86 RBD in complex with hACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-09-23 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X55
 | | BA.2.86 Spike Trimer with T356K mutation (3 RBD down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8WHU
 | | Spike Trimer of BA.2.86 in complex with two hACE2s | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-09-23 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X5R
 | | SARS-CoV-2 BA.2.75 Spike with K356T mutation (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: | Yue, C, Liu, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X50
 | | BA.2.86 Spike Trimer with ins483V mutation (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X4H
 | | SARS-CoV-2 JN.1 Spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-11-15 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8X5Q
 | | SARS-CoV-2 BA.2.75 Spike with K356T mutation (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: | Yue, C, Liu, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
8WHW
 | | Spike Trimer of BA.2.86 with single RBD up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2023-09-23 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
|
|
