9AYJ
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![BU of 9ayj by Molmil](/molmil-images/mine/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
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![BU of 9ayk by Molmil](/molmil-images/mine/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
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![BU of 9ayg by Molmil](/molmil-images/mine/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
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![BU of 9ayh by Molmil](/molmil-images/mine/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
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![BU of 9ayl by Molmil](/molmil-images/mine/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
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![BU of 6ntf by Molmil](/molmil-images/mine/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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![BU of 6nxf by Molmil](/molmil-images/mine/6nxf) | |
8JRL
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![BU of 8jrl by Molmil](/molmil-images/mine/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
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![BU of 5v9p by Molmil](/molmil-images/mine/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
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![BU of 5v9t by Molmil](/molmil-images/mine/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
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![BU of 5e85 by Molmil](/molmil-images/mine/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
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![BU of 8thh by Molmil](/molmil-images/mine/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
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![BU of 8thg by Molmil](/molmil-images/mine/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
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![BU of 5e86 by Molmil](/molmil-images/mine/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
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![BU of 6j5w by Molmil](/molmil-images/mine/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
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![BU of 6j6i by Molmil](/molmil-images/mine/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
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![BU of 6j5t by Molmil](/molmil-images/mine/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
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![BU of 6j5u by Molmil](/molmil-images/mine/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
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![BU of 6j5v by Molmil](/molmil-images/mine/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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![BU of 5h2z by Molmil](/molmil-images/mine/5h2z) | |
5JIQ
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![BU of 5jiq by Molmil](/molmil-images/mine/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
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![BU of 5jim by Molmil](/molmil-images/mine/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
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![BU of 5e84 by Molmil](/molmil-images/mine/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
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![BU of 8sbb by Molmil](/molmil-images/mine/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
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![BU of 8p8k by Molmil](/molmil-images/mine/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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