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3J8D
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Cryoelectron microscopy of dengue-Fab E104 complex at pH 5.5
分子名称: Envelope protein E, antibody E111 Fab fragment, glycoprotein DIII
著者Zhang, X.Z, Sheng, J, Austin, S.K, Hoornweg, T, Smit, J.M, Kuhn, R.J, Diamond, M.S, Rossmann, M.G.
登録日2014-10-13
公開日2014-11-12
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (26 Å)
主引用文献Structure of Acidic pH Dengue Virus Showing the Fusogenic Glycoprotein Trimers.
J.Virol., 89, 2015
7FU1
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BU of 7fu1 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-[3-[[(5-bromo-2-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpyrazole-3-carboxylic acid
分子名称: (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7U24
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BU of 7u24 by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and glibenclamide with Kir6.2-CTD in the up conformation
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ...
著者Shyng, S.L, Sung, M.W, Driggers, C.M.
登録日2022-02-23
公開日2022-08-31
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7QOI
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BU of 7qoi by Molmil
Unique vertex of the phicrAss001 virion
分子名称: Auxiliary capsid protein gp36, Cargo protein 1 gp45, Head fiber trimer protein gp21, ...
著者Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
登録日2021-12-24
公開日2023-03-29
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural atlas of a human gut crassvirus.
Nature, 617, 2023
2NCN
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BU of 2ncn by Molmil
Solution Structure of the Autophagy-Related Protein LC3C
分子名称: Autophagy-Related Protein LC3C
著者Krichel, C, Weiergraeber, O.H, Willbold, D, Neudecker, P.
登録日2016-04-11
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the autophagy-related protein LC3C reveals a polyproline II motif on a mobile tether with phosphorylation site.
Sci Rep, 9, 2019
8QLQ
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BU of 8qlq by Molmil
Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor
著者Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-09-20
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
7U6Y
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BU of 7u6y by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of glibenclamide and ATP with Kir6.2-CTD in the down conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11
著者Shyng, S.L, Sung, M.W, Driggers, C.M.
登録日2022-03-06
公開日2022-08-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7QPV
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Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
分子名称: 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
著者Leonard, P.M, Langgard, M.
登録日2022-01-05
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
7QAR
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BU of 7qar by Molmil
Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature
分子名称: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
著者Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
登録日2021-11-17
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
5LOO
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BU of 5loo by Molmil
Structure of full length unliganded CodY from Bacillus subtilis
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY
著者Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
登録日2016-08-09
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
3J9X
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BU of 3j9x by Molmil
A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA
分子名称: DNA, coat protein
著者DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E.
登録日2015-03-21
公開日2015-06-03
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A virus that infects a hyperthermophile encapsidates A-form DNA.
Science, 348, 2015
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
著者Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
登録日2023-10-04
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
7U7M
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BU of 7u7m by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of carbamazepine and ATP with Kir6.2-CTD in the up conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11
著者Shyng, S.L, Sung, M.W, Driggers, C.M.
登録日2022-03-07
公開日2022-08-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7QPQ
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BU of 7qpq by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
分子名称: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
著者Leonard, P.M, Langgard, M.
登録日2022-01-05
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
3JAB
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BU of 3jab by Molmil
Domain organization and conformational plasticity of the G protein effector, PDE6
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, GafA domain of cone phosphodiesterase 6C, GafB domain of phosphodiesterase 2A, ...
著者Zhang, Z, He, F, Constantine, R, Baker, M.L, Baehr, W, Schmid, M.F, Wensel, T.G, Agosto, M.A.
登録日2015-05-26
公開日2015-06-10
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Domain Organization and Conformational Plasticity of the G Protein Effector, PDE6.
J.Biol.Chem., 290, 2015
3ANT
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BU of 3ant by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
分子名称: 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2
著者Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
登録日2010-09-08
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
7TW9
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BU of 7tw9 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to Sinefungin
分子名称: DI(HYDROXYETHYL)ETHER, ETHANOL, METHANOL, ...
著者Kottur, J, Aggarwal, A.K.
登録日2022-02-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
7QRI
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BU of 7qri by Molmil
Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe
分子名称: PHENYLALANINE, Tryptophan 5-hydroxylase 2
著者Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B.
登録日2022-01-11
公開日2023-05-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand.
Structure, 31, 2023
2MWH
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BU of 2mwh by Molmil
NMR solution structure of ligand-free OAA
分子名称: Anti-HIV lectin OAA
著者Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A.
登録日2014-11-10
公開日2015-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
3JT8
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BU of 3jt8 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
7QUH
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BU of 7quh by Molmil
Siglec-8 in complex with therapeutic Fab AK002.
分子名称: Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin
著者Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J.
登録日2022-01-18
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.867 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
7QBJ
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BU of 7qbj by Molmil
bacterial IMPDH chimera
分子名称: Inosine-5'-monophosphate dehydrogenase
著者Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
登録日2021-11-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7TW7
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BU of 7tw7 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAM
分子名称: S-ADENOSYLMETHIONINE, Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera, ZINC ION
著者Kottur, J, Aggarwal, A.K.
登録日2022-02-06
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
7LA8
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BU of 7la8 by Molmil
O6 variable lymphocyte receptor ectodomain bound to 3-HSO3-Gal-4GlcNAc
分子名称: 3-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIOTIN, O6 variable lymphocyte receptor, ...
著者Bernard, S.M, Wilson, I.A.
登録日2021-01-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8965 Å)
主引用文献Novel lamprey antibody recognizes terminal sulfated galactose epitopes on mammalian glycoproteins.
Commun Biol, 4, 2021
7A7D
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BU of 7a7d by Molmil
Cadherin fit into cryo-ET map
分子名称: Desmocollin-2, Desmoglein-2
著者Sikora, M, Ermel, U.H, Seybold, A, Kunz, M, Calloni, G, Reitz, J, Vabulas, R.M, Hummer, G, Frangakis, A.S.
登録日2020-08-28
公開日2020-12-23
実験手法ELECTRON MICROSCOPY (26 Å)
主引用文献Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography.
Proc.Natl.Acad.Sci.USA, 117, 2020

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件を2024-08-21に公開中

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