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6BWI
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BU of 6bwi by Molmil
3.7 angstrom cryoEM structure of full length human TRPM4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Clapham, D.E.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of full-length human TRPM4.
Proc.Natl.Acad.Sci.USA, 115, 2018
6C5M
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BU of 6c5m by Molmil
Structure of glycolipid aGSA[8,9] in complex with mouse CD1d
Descriptor: (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Wang, J.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6NBN
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BU of 6nbn by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
Descriptor: AAEL005772-PA, ARACHIDONIC ACID
Authors:Jones, D.N, Wang, J.
Deposit date:2018-12-07
Release date:2018-12-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6C6J
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BU of 6c6j by Molmil
Structure of glycolipid aGSA[8,P5p] in complex with mouse CD1d
Descriptor: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Wang, J.
Deposit date:2018-01-18
Release date:2019-01-30
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6GOO
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BU of 6goo by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4
Descriptor: Transthyretin, pentadecafluorooctanoic acid
Authors:Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
Deposit date:2018-06-01
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6OGH
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BU of 6ogh by Molmil
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ...
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-02
Release date:2019-04-24
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
5H2Z
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BU of 5h2z by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Wu, D, Huang, J.
Deposit date:2016-10-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
To Be Published
8THH
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BU of 8thh by Molmil
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
8THG
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BU of 8thg by Molmil
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
5GPH
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BU of 5gph by Molmil
Solution structure of the Pin1-PPIase (S138A) mutant
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Tochio, N, Wang, J, Tate, S.
Deposit date:2016-08-02
Release date:2017-08-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the Pin1-PPIase (S138A) mutant
To Be Published
6GNM
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BU of 6gnm by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Descriptor: Transthyretin, bis(2,4-dihydroxyphenyl)methanone
Authors:Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
Deposit date:2018-05-31
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNR
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BU of 6gnr by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)
Descriptor: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin
Authors:Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
Deposit date:2018-05-31
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
Authors:Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
6GR7
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BU of 6gr7 by Molmil
Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
Descriptor: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
Authors:Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
Deposit date:2018-06-09
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
5L4I
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BU of 5l4i by Molmil
Crystal Structure of Human Transthyretin in Complex with Clonixin
Descriptor: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
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
5L4J
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BU of 5l4j by Molmil
Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS)
Descriptor: 4-(4-hydroxyphenyl)sulfonylphenol, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5L4F
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BU of 5l4f by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC)
Descriptor: 2,6-Dinitro-p-cresol, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
7TN1
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BU of 7tn1 by Molmil
Multistate design to stabilize viral class I fusion proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0
Authors:Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E.
Deposit date:2022-01-20
Release date:2023-07-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A general computational design strategy for stabilizing viral class I fusion proteins.
Nat Commun, 15, 2024
7YKD
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BU of 7ykd by Molmil
Cryo-EM structure of the human chemerin receptor 1 complex with the C-terminal nonapeptide of chemerin
Descriptor: CHOLESTEROL, Chemerin-like receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, G, Liao, Q, Ye, R.D, Wang, J.
Deposit date:2022-07-22
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Cryo-EM structure of the human chemerin receptor 1-Gi protein complex bound to the C-terminal nonapeptide of chemerin.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7DDE
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BU of 7dde by Molmil
Cryo-EM structure of the Ape4 and Nbr1 complex
Descriptor: Aspartyl aminopeptidase 1,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Zhang, J, Ye, K.
Deposit date:2020-10-28
Release date:2021-07-14
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
7DD9
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BU of 7dd9 by Molmil
Cryo-EM structure of the Ams1 and Nbr1 complex
Descriptor: Alpha-mannosidase,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Zhang, J, Ye, K.
Deposit date:2020-10-28
Release date:2021-07-14
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
5TS1
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BU of 5ts1 by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
6FBM
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BU of 6fbm by Molmil
Crystal structure of GNIP1Aa from Chromobacterium piscinae
Descriptor: Gram-negative insecticidal protein
Authors:Freigang, J, Zaitseva, J.
Deposit date:2017-12-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function characterization of an insecticidal protein GNIP1Aa, a member of an MACPF and beta-tripod families.
Proc.Natl.Acad.Sci.USA, 116, 2019
8WFC
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BU of 8wfc by Molmil
N5, N10-methylenetetrahydrofolate dehydrogenase/cyclohydrolase
Descriptor: Bifunctional protein FolD
Authors:Hwang, J, Lee, J.H, Do, H.
Deposit date:2023-09-19
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure and Sequence Analysis of N5, N10-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase Enzyme from Porphyromonas gingivalis
Crystals, 13, 2023

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