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7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7UN1
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BU of 7un1 by Molmil
8-nm repeat of the human sperm tip singlet microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gui, M, Croft, J.T, Zabeo, D, Acharya, V, Kollman, J.M, Burgoyne, T, Hoog, J.L, Brown, A.
Deposit date:2022-04-08
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6 Å)
Cite:SPACA9 is a lumenal protein of human ciliary singlet and doublet microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
5C2A
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BU of 5c2a by Molmil
PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine
Descriptor: 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-06-15
Release date:2015-09-30
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
6KLW
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BU of 6klw by Molmil
Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore with long stem
Descriptor: CALCIUM ION, Iota toxin component Ia, Iota toxin component Ib
Authors:Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
6KLX
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BU of 6klx by Molmil
Pore structure of Iota toxin binding component (Ib)
Descriptor: CALCIUM ION, Iota toxin component Ib
Authors:Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
5C29
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BU of 5c29 by Molmil
PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine
Descriptor: 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-06-15
Release date:2015-09-30
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
7YHS
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BU of 7yhs by Molmil
Structure of Csy-AcrIF4-dsDNA
Descriptor: AcrIF4, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Feng, Y, Zhang, L.X.
Deposit date:2022-07-14
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Anti-CRISPR protein AcrIF4 inhibits the type I-F CRISPR-Cas surveillance complex by blocking nuclease recruitment and DNA cleavage.
J.Biol.Chem., 298, 2022
6KLO
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BU of 6klo by Molmil
Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore with short stem
Descriptor: CALCIUM ION, Iota toxin component Ia, Iota toxin component Ib
Authors:Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
5DH4
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BU of 5dh4 by Molmil
PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
8HQC
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BU of 8hqc by Molmil
Structure of a GPCR-G protein in complex with a natural peptide agonist
Descriptor: Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2022-12-13
Release date:2023-10-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8BEJ
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BU of 8bej by Molmil
GABA-A receptor a5 homomer - a5V3 - APO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHM
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BU of 8bhm by Molmil
GABA-A receptor a5 homomer - a5V3 - DMCM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHB
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BU of 8bhb by Molmil
GABA-A receptor a5 homomer - a5V3 - RO154513
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y, Wahid, A.A.
Deposit date:2022-10-30
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHI
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BU of 8bhi by Molmil
GABA-A receptor a5 homomer - a5V3 - RO5211223
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHK
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BU of 8bhk by Molmil
GABA-A receptor a5 homomer - a5V3 - Diazepam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Kasaragod, V.B, Chirgadze, D.Y.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHO
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BU of 8bho by Molmil
GABA-A receptor a5 homomer - a5V3 - L655708
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHQ
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BU of 8bhq by Molmil
GABA-A receptor a5 homomer - a5V3 - RO7172670
Descriptor: 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHS
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BU of 8bhs by Molmil
GABA-A receptor a5 homomer - a5V3 - RO4938581
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHA
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BU of 8bha by Molmil
GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Basmisanil, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Malinauskas, T.M, Wahid, A.A, Hardwick, S.W, Chirgadze, D.Y, Miller, P.S.
Deposit date:2022-10-30
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHR
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BU of 8bhr by Molmil
GABA-A receptor a5 homomer - a5V3 - RO7015738
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Kasaragod, V.B.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
5DZC
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BU of 5dzc by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
Descriptor: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-25
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BLA
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BU of 8bla by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (detergent, ECD only, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 31, 2024

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