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3U0X
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BU of 3u0x by Molmil
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
2LUR
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BU of 2lur by Molmil
NMR solution structure of Kb1[ghrw;23-28]
分子名称: Kalata
著者Daly, N.L, Eliasen, R, Craik, D.J.
登録日2012-06-20
公開日2012-08-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Design, synthesis, structural and functional characterization of novel melanocortin agonists based on the cyclotide kalata b1.
J.Biol.Chem., 287, 2012
3DOJ
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BU of 3doj by Molmil
Structure of Glyoxylate reductase 1 from Arabidopsis (AtGLYR1)
分子名称: CHLORIDE ION, Dehydrogenase-like protein
著者Jorgensen, R.
登録日2008-07-04
公開日2009-07-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Cytosolic NADPH-dependent Glyoxylate Reductase from Arabidopsis: Crystal Structure and Kinetic Characterization of Active Site Mutants
To be Published
2Q6M
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BU of 2q6m by Molmil
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the PJ34 inhibitor
分子名称: Cholix toxin, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
著者Merrill, A.R, Jorgensen, R.
登録日2007-06-05
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Cholix Toxin, a Novel ADP-ribosylating Factor from Vibrio cholerae.
J.Biol.Chem., 283, 2008
3RX6
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BU of 3rx6 by Molmil
Crystal structure of Polarity Suppression protein from Enterobacteria phage P4
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, MERCURY (II) ION, ...
著者Banerjee, R, Nath, S, Khamrui, S, Sen, R, Sen, U.
登録日2011-05-10
公開日2012-07-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献The first structure of polarity suppression protein, Psu from enterobacteria phage P4, reveals a novel fold and a knotted dimer
J.Biol.Chem., 287, 2012
5IT2
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BU of 5it2 by Molmil
Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment
分子名称: heavy chain, light chain
著者Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
登録日2016-03-16
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High abundance of plasma cells secreting transglutaminase 2-specific IgA autoantibodies with limited somatic hypermutation in celiac disease intestinal lesions
Nat. Med., 18, 2012
2PC0
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BU of 2pc0 by Molmil
Apo Wild-type HIV Protease in the open conformation
分子名称: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
著者Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D.
登録日2007-03-29
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
8PM6
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BU of 8pm6 by Molmil
Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs
分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
8PMJ
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BU of 8pmj by Molmil
Vanadate-trapped BSEP in nanodiscs
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ...
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
8PMD
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BU of 8pmd by Molmil
Nucleotide-bound BSEP in nanodiscs
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
3ZS0
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BU of 3zs0 by Molmil
Human Myeloperoxidase inactivated by TX2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ...
著者Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J.
登録日2011-06-21
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011
3ZS1
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BU of 3zs1 by Molmil
Human Myeloperoxidase inactivated by TX5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ...
著者Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J.
登録日2011-06-21
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011
4V4B
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BU of 4v4b by Molmil
Structure of the ribosomal 80S-eEF2-sordarin complex from yeast obtained by docking atomic models for RNA and protein components into a 11.7 A cryo-EM map.
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11, ...
著者Spahn, C.M, Gomez-Lorenzo, M.G, Grassucci, R.A, Jorgensen, R, Andersen, G.R, Beckmann, R, Penczek, P.A, Ballesta, J.P.G, Frank, J.
登録日2004-01-06
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (11.7 Å)
主引用文献Domain movements of elongation factor eEF2 and the eukaryotic 80S ribosome facilitate tRNA translocation.
Embo J., 23, 2004
7POG
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BU of 7pog by Molmil
High-resolution structure of native toxin A from Clostridioides difficile
分子名称: Toxin A, ZINC ION
著者Boesen, T, Joergensen, R, Aminzadeh, A, Engelbrecht Larsen, C.
登録日2021-09-08
公開日2021-12-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献High-resolution structure of native toxin A from Clostridioides difficile.
Embo Rep., 23, 2022
8RQF
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BU of 8rqf by Molmil
Cryo-EM structure of human NTCP-Bulevirtide complex
分子名称: Fab-specific nanobody, Heavy chain of Fab3, Light chain of Fab3, ...
著者Liu, H, Zakrzewicz, D, Nosol, K, Irobalieva, R.N, Mukherjee, S, Bang-Soerensen, R, Goldmann, N, Kunz, S, Rossi, L, Kossiakoff, A.A, Urban, S, Glebe, D, Geyer, J, Locher, K.P.
登録日2024-01-18
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Cryo-EM structure of human NTCP-Bulevirtide complex
To Be Published
8DFY
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BU of 8dfy by Molmil
Crystal structure of Human BTN2A1 Ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.552 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.55 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFW
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BU of 8dfw by Molmil
Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
7ZYI
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BU of 7zyi by Molmil
Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody
分子名称: CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ...
著者Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2022-05-24
公開日2022-07-13
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver.
Cell Res., 32, 2022
6FJM
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BU of 6fjm by Molmil
tubulin-Disorazole Z complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ...
著者Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O.
登録日2018-01-22
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
7AC1
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BU of 7ac1 by Molmil
Solution structure of the TAF4-RST domain
分子名称: Transcription initiation factor TFIID subunit 4
著者Staby, L, Davidsen, R, Bugge, K, Skriver, K, Kragelund, B.B.
登録日2020-09-09
公開日2021-10-06
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献alpha alpha-hub coregulator structure and flexibility determine transcription factor binding and selection in regulatory interactomes.
J.Biol.Chem., 298, 2022
6Z5N
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BU of 6z5n by Molmil
DnaJB1 JD-GF
分子名称: DnaJ homolog subfamily B member 1
著者Avraham-Abayev, M, London, N, Rosenzweig, R.
登録日2020-05-27
公開日2020-11-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献HSP40 proteins use class-specific regulation to drive HSP70 functional diversity.
Nature, 587, 2020
5F2E
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BU of 5f2e by Molmil
Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C
分子名称: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ...
著者Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y.
登録日2015-12-01
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
6FXB
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BU of 6fxb by Molmil
Bovine beta-lactoglobulin variant A at pH 4.0
分子名称: DI(HYDROXYETHYL)ETHER, Major allergen beta-lactoglobulin, NITRATE ION
著者Khan, S, Ipsen, R, Almdal, K, Svensson, B, Harris, P.
登録日2018-03-08
公開日2018-05-23
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Revealing the Dimeric Crystal and Solution Structure of beta-Lactoglobulin at pH 4 and Its pH and Salt Dependent Monomer-Dimer Equilibrium.
Biomacromolecules, 19, 2018
4ZD3
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BU of 4zd3 by Molmil
Structure of a transglutaminase 2-specific autoantibody Fab fragment
分子名称: 679-14-14E06 Fab fragment heavy chain, 679-14-14E06 Fab fragment light chain
著者Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
登録日2015-04-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease.
J.Biol.Chem., 290, 2015

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