9AYJ
 
 | | Cryo-EM structure of human Cav3.2 with TTA-P2 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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9AYK
 | | Cryo-EM structure of human Cav3.2 with ML218 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-08 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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9AYG
 | | Cryo-EM structure of apo state human Cav3.2 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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9AYH
 | | Cryo-EM structure of human Cav3.2 with TTA-A2 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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9AYL
 | | Cryo-EM structure of human Cav3.2 with ACT-709478 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-08 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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6NTF
 | | Crystal structure of a computationally optimized H5 influenza hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Huang, J, Bar-Peled, Y, Mousa, J.J. | | Deposit date: | 2019-01-29 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and antigenic characterization of a computationally-optimized H5 hemagglutinin influenza vaccine.
Vaccine, 37, 2019
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6NXF
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8JRL
 | | Crystal structure of P450 TleB with an indole alkaloid | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, J, Yan, W.P. | | Deposit date: | 2023-06-17 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
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5V9P
 | | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5V9T
 | | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5E85
 | | isolated SBD of BiP | | Descriptor: | 78 kDa glucose-regulated protein, SULFATE ION | | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | | Deposit date: | 2015-10-13 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
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8THH
 | | Cryo-EM structure of Nav1.7 with LTG | | Descriptor: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8THG
 | | Cryo-EM structure of Nav1.7 with RLZ | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5E86
 | | isolated SBD of BiP with loop34 modification | | Descriptor: | 78 kDa glucose-regulated protein | | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | | Deposit date: | 2015-10-13 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.681 Å) | | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
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6J5W
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Disease resistance RPP13-like protein 4, RKS1 | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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6J6I
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-03-20 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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6J5T
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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6J5U
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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6J5V
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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5H2Z
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5JIQ
 | | Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2) | | Descriptor: | GLYCEROL, SODIUM ION, Transthyretin, ... | | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | | Deposit date: | 2016-04-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
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5JIM
 | | Crystal Structure of Human Transthyretin in Complex with Perfluoroktansulfonsyra (PFOS) | | Descriptor: | SODIUM ION, Transthyretin, heptadecafluoro-1-octanesulfonic acid | | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | | Deposit date: | 2016-04-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
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5E84
 | | ATP-bound state of BiP | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | | Deposit date: | 2015-10-13 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
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8SBB
 | | Cryo-EM structure of FtAlkB | | Descriptor: | Alkane 1-monooxygenase, DODECANE, FE (III) ION, ... | | Authors: | Zhang, J, Feng, L. | | Deposit date: | 2023-04-03 | | Release date: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structure and mechanism of the alkane-oxidizing enzyme AlkB.
Nat Commun, 14, 2023
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8P8K
 | | Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, Acyl-ACP thioesterase | | Authors: | Freigang, J. | | Deposit date: | 2023-06-01 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.
J.Agric.Food Chem., 71, 2023
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