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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
Descriptor: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
Authors:Palcic, M.M, Jorgensen, R.
Deposit date:2011-09-29
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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]
Descriptor: Kalata
Authors:Daly, N.L, Eliasen, R, Craik, D.J.
Deposit date:2012-06-20
Release date:2012-08-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: CHLORIDE ION, Dehydrogenase-like protein
Authors:Jorgensen, R.
Deposit date:2008-07-04
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.101 Å)
Cite: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
Descriptor: Cholix toxin, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
Authors:Merrill, A.R, Jorgensen, R.
Deposit date:2007-06-05
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, MERCURY (II) ION, ...
Authors:Banerjee, R, Nath, S, Khamrui, S, Sen, R, Sen, U.
Deposit date:2011-05-10
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.039 Å)
Cite: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
2W2S
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BU of 2w2s by Molmil
Structure of the Lagos bat virus matrix protein
Descriptor: MATRIX PROTEIN
Authors:Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H.
Deposit date:2008-11-03
Release date:2009-01-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association.
Plos Pathog., 4, 2008
3ZS0
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BU of 3zs0 by Molmil
Human Myeloperoxidase inactivated by TX2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ...
Authors: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.
Deposit date:2011-06-21
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ...
Authors: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.
Deposit date:2011-06-21
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011
2VVD
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BU of 2vvd by Molmil
Crystal structure of the receptor binding domain of the spike protein P1 from bacteriophage PM2
Descriptor: CALCIUM ION, SPIKE PROTEIN P1
Authors:Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I.
Deposit date:2008-06-06
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2.
Mol.Cell, 31, 2008
2W2R
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BU of 2w2r by Molmil
Structure of the vesicular stomatitis virus matrix protein
Descriptor: MATRIX PROTEIN
Authors:Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H.
Deposit date:2008-11-03
Release date:2009-01-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association.
Plos Pathog., 4, 2008
2VVE
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BU of 2vve by Molmil
Crystal structure of the stem and receptor binding domain of the spike protein P1 from bacteriophage PM2
Descriptor: CALCIUM ION, CHLORIDE ION, SPIKE PROTEIN P1
Authors:Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I.
Deposit date:2008-06-06
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2.
Mol.Cell, 31, 2008
2VVF
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BU of 2vvf by Molmil
Crystal structure of the major capsid protein P2 from Bacteriophage PM2
Descriptor: CALCIUM ION, MAJOR CAPSID PROTEIN P2
Authors:Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I.
Deposit date:2008-06-06
Release date:2008-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2.
Mol.Cell, 31, 2008
2VYP
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BU of 2vyp by Molmil
Rabbit-muscle G-actin in complex with myxobacterial rhizopodin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hagelueken, G, Albrecht, S.C, Steinmetz, H, Jansen, R, Heinz, D.W, Kalesse, M, Schubert, W.-D.
Deposit date:2008-07-25
Release date:2009-02-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Absolute Configuration of Rhizopodin and its Inhibition of Actin Polymerization by Dimerization.
Angew.Chem.Int.Ed.Engl., 48, 2009
3ESS
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BU of 3ess by Molmil
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor
Descriptor: 1H-benzo[de]isoquinoline-1,3(2H)-dione, Cholix toxin
Authors:Merrill, A.R, Jorgensen, R.
Deposit date:2008-10-06
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.191 Å)
Cite:Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins
Fems Microbiol.Lett., 300, 2009
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.
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11, ...
Authors: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.
Deposit date:2004-01-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.7 Å)
Cite: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
Descriptor: Toxin A, ZINC ION
Authors:Boesen, T, Joergensen, R, Aminzadeh, A, Engelbrecht Larsen, C.
Deposit date:2021-09-08
Release date:2021-12-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:High-resolution structure of native toxin A from Clostridioides difficile.
Embo Rep., 23, 2022
8PM6
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BU of 8pm6 by Molmil
Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL
Authors:Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
Deposit date:2023-06-28
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ...
Authors:Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
Deposit date:2023-06-28
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION
Authors:Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
Deposit date:2023-06-28
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
8RQF
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BU of 8rqf by Molmil
Cryo-EM structure of human NTCP-Bulevirtide complex
Descriptor: Fab-specific nanobody, Heavy chain of Fab3, Light chain of Fab3, ...
Authors: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.
Deposit date:2024-01-18
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.552 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (5.55 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
6FJM
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BU of 6fjm by Molmil
tubulin-Disorazole Z complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ...
Authors: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.
Deposit date:2018-01-22
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
5IT2
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BU of 5it2 by Molmil
Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment
Descriptor: heavy chain, light chain
Authors:Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
Deposit date:2016-03-16
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High abundance of plasma cells secreting transglutaminase 2-specific IgA autoantibodies with limited somatic hypermutation in celiac disease intestinal lesions
Nat. Med., 18, 2012

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