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4WPF
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BU of 4wpf by Molmil
Crystal structure of RORc in complex with a phenyl sulfonamide agonist
分子名称: N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS
著者Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G.
登録日2014-10-18
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
5TVV
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BU of 5tvv by Molmil
Computationally Designed Fentanyl Binder - Fen49* Apo
分子名称: Endo-1,4-beta-xylanase A, POTASSIUM ION
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-10
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TZO
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BU of 5tzo by Molmil
Computationally Designed Fentanyl Binder - Fen49*-Complex
分子名称: CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ...
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-22
公開日2017-10-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
8OPA
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BU of 8opa by Molmil
Virus-like Particle based on PVY coat protein with stacked-ring architecture
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPF
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BU of 8opf by Molmil
Virus-like Particle based on PVY coat protein with dC60 deletion with RNA-free helical architecture
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPE
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BU of 8ope by Molmil
Virus-like Particle based on PVY coat protein with dC40 deletion with helical architecture encapsidating ssRNA
分子名称: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPK
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BU of 8opk by Molmil
Local refinement of cubic assembly from truncated PVY coat protein with K176C mutation
分子名称: Genome polyprotein
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
7ZHL
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BU of 7zhl by Molmil
Salmonella enterica Rhs1 C-terminal toxin TreTu
分子名称: RHS repeat protein, ZINC ION
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
7ZHM
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BU of 7zhm by Molmil
Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein
分子名称: Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ...
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
5V3R
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BU of 5v3r by Molmil
CHMP4C in complex with ALIX BRO1
分子名称: Charged multivesicular body protein 4c, Programmed cell death 6-interacting protein
著者Wenzel, D.M, Alam, S.L, Sundquist, W.I.
登録日2017-03-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EJI
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BU of 6eji by Molmil
Structure of a glycosyltransferase
分子名称: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
著者Ramirez, A.S, Boilevin, J, Mehdipour, A.R, Hummer, G, Darbre, T, Reymond, J.L, Locher, K.P.
登録日2017-09-21
公開日2018-02-07
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase.
Nat Commun, 9, 2018
3SDI
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BU of 3sdi by Molmil
Structure of yeast 20S open-gate proteasome with Compound 20
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
6OFF
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BU of 6off by Molmil
High-resolution filamentous structures of in vitro polymerized PrgI needle
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
7JQ8
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BU of 7jq8 by Molmil
Solution NMR structure of human Brd3 ET domain
分子名称: Bromodomain-containing protein 3, Integrase peptide
著者Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
登録日2020-08-10
公開日2021-06-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
7JYN
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BU of 7jyn by Molmil
Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide
分子名称: Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3
著者Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T.
登録日2020-08-31
公開日2021-06-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
著者Huang, C.S, Yin, J.P, Hymowitz, S.G.
登録日2019-07-06
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
7L2O
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BU of 7l2o by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 at pH 5.5
分子名称: Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2K
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BU of 7l2k by Molmil
Cryo-EM structure of full-length TRPV1 at pH6b state
分子名称: Transient receptor potential cation channel subfamily V member 1
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2U
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BU of 7l2u by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 in open state
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2R
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BU of 7l2r by Molmil
Cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-open state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2M
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BU of 7l2m by Molmil
Cryo-EM structure of DkTx/RTX-bound full-length TRPV1
分子名称: SODIUM ION, Tau-theraphotoxin-Hs1a, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2H
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BU of 7l2h by Molmil
Cryo-EM structure of unliganded full-length TRPV1 at neutral pH
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2J
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BU of 7l2j by Molmil
Cryo-EM structure of full-length TRPV1 at pH6c state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, Transient receptor potential cation channel subfamily V member 1
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2V
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BU of 7l2v by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state b
分子名称: 6-deoxy-6-(methylamino)-D-galactitol, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2N
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BU of 7l2n by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 in C1 state
分子名称: Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021

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