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5FSR
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BU of 5fsr by Molmil
Crystal structure of penicillin binding protein 6B from Escherichia coli
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD
Authors:Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W.
Deposit date:2016-01-07
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli
Mbio, 7, 2016
1HXY
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BU of 1hxy by Molmil
CRYSTAL STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN H IN COMPLEX WITH HUMAN MHC CLASS II
Descriptor: ENTEROTOXIN H, HEMAGGLUTININ, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Petersson, K, Hakansson, M, Nilsson, H, Forsberg, G, Svensson, L.A, Liljas, A, Walse, B.
Deposit date:2001-01-17
Release date:2001-06-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of a Superantigen Bound to MHC Class II Displays Zinc and Peptide Dependence
Embo J., 20, 2001
1LO5
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BU of 1lo5 by Molmil
Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with human MHC class II
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DR-1 beta chain, ...
Authors:Petersson, K, Thunnissen, M, Forsberg, G, Walse, B.
Deposit date:2002-05-06
Release date:2002-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of a SEA Variant in Complex with MHC Class II Reveals the Ability of SEA to Crosslink MHC Molecules
Structure, 10, 2002
5OAX
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BU of 5oax by Molmil
Galectin-3c in complex with thiogalactoside derivate
Descriptor: 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
Authors:Nilsson, U.J, Peterson, K, Hakansson, M, Logan, D.T.
Deposit date:2017-06-25
Release date:2018-05-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
5ODY
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BU of 5ody by Molmil
Galectin-3C in complex with dithiogalactoside derivative
Descriptor: 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2017-07-07
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
6ZTG
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BU of 6ztg by Molmil
Spor protein DedD
Descriptor: Cell division protein DedD
Authors:Pazos, M, Peters, K, Boes, A, Safaei, Y, Kenward, C, Caveney, N.A, Laguri, C, Breukink, E, Strynadka, N.C.J, Simorre, J.P, Terrak, M, Vollmer, W.
Deposit date:2020-07-20
Release date:2020-11-11
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:SPOR Proteins Are Required for Functionality of Class A Penicillin-Binding Proteins in Escherichia coli.
Mbio, 11, 2020
6FQB
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BU of 6fqb by Molmil
MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6
Descriptor: Cobyric acid synthase, GLUTAMINE, Mur ligase family protein
Authors:Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A.
Deposit date:2018-02-13
Release date:2018-08-22
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae.
Nat Commun, 9, 2018
1PFG
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BU of 1pfg by Molmil
Strategy to design inhibitors: Structure of a complex of Proteinase K with a designed octapeptide inhibitor N-Ac-Pro-Ala-Pro-Phe-DAla-Ala-Ala-Ala-NH2 at 2.5A resolution
Descriptor: N-Ac-PAPFAAAA-NH2, Proteinase K
Authors:Saxena, A.K, Singh, T.P, Peters, K, Fittkau, S, Betzel, C.
Deposit date:2003-05-27
Release date:2003-06-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Strategy to design peptide inhibitors: structure of a complex of proteinase K with a designed octapeptide inhibitor N-Ac-Pro-Ala-Pro-Phe-DAla-Ala-Ala-Ala-NH2 at 2.5 A resolution.
Protein Sci., 5, 1996
1PEK
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BU of 1pek by Molmil
STRUCTURE OF THE COMPLEX OF PROTEINASE K WITH A SUBSTRATE-ANALOGUE HEXA-PEPTIDE INHIBITOR AT 2.2 ANGSTROMS RESOLUTION
Descriptor: D-DAL-ALA-NH2, PEPTIDE PRO-ALA-PRO-PHE, PROTEINASE K
Authors:Betzel, C, Singh, T.P, Visanji, M, Peters, K, Fittkau, S, Saenger, W, Wilson, K.S.
Deposit date:1993-01-19
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the complex of proteinase K with a substrate analogue hexapeptide inhibitor at 2.2-A resolution.
J.Biol.Chem., 268, 1993
1PJ8
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BU of 1pj8 by Molmil
Structure of a ternary complex of proteinase K, mercury and a substrate-analogue hexapeptide at 2.2 A resolution
Descriptor: 6-residue peptide (N-Ac-PAPFPA-NH2), MERCURY (II) ION, Proteinase K
Authors:Saxena, A.K, Singh, T.P, Peters, K, Fittkau, S, Visanji, M, Wilson, K.S, Betzel, C.
Deposit date:2003-06-02
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a ternary complex of proteinase K, mercury, and a substrate-analogue hexa-peptide at 2.2 A resolution
Proteins, 25, 1996
5FK9
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BU of 5fk9 by Molmil
Crystal structure of staphylococcal enterotoxin A F47A mutant in complex with a T cell receptor
Descriptor: ENTEROTOXIN TYPE A, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins
Sci.Rep., 6, 2016
2XN9
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BU of 2xn9 by Molmil
Crystal structure of the ternary complex between human T cell receptor, staphylococcal enterotoxin H and human major histocompatibility complex class II
Descriptor: ENTEROTOXIN H, GLYCEROL, HEMAGGLUTININ, ...
Authors:Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K.
Deposit date:2010-07-31
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
2XNA
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BU of 2xna by Molmil
Crystal structure of the complex between human T cell receptor and staphylococcal enterotoxin
Descriptor: ENTEROTOXIN H, GLYCEROL, SODIUM ION, ...
Authors:Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K.
Deposit date:2010-07-31
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
8R74
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BU of 8r74 by Molmil
Galectin-1 in complex with thiogalactoside derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1
Authors:Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U.
Deposit date:2023-11-23
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
8C9H
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BU of 8c9h by Molmil
AQP7_inhibitor
Descriptor: Aquaporin-7, ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate
Authors:Huang, P, Venskutonyte, R, Gourdon, P, Lindkvist-Petersson, K.
Deposit date:2023-01-22
Release date:2024-01-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for human aquaporin inhibition.
Proc.Natl.Acad.Sci.USA, 121, 2024
6I75
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BU of 6i75 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 2
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.171 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I74
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BU of 6i74 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I76
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BU of 6i76 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I77
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BU of 6i77 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I78
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BU of 6i78 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
2W1P
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BU of 2w1p by Molmil
1.4 Angstrom crystal structure of P.pastoris aquaporin, Aqy1, in a closed conformation at pH 8.0
Descriptor: AQUAPORIN PIP2-7 7;, CHLORIDE ION, octyl beta-D-glucopyranoside
Authors:Fischer, G, Kosinska-Eriksson, U, Aponte-Santamaria, C, Palmgren, M, Geijer, C, Hedfalk, K, Hohmann, S, de Groot, B.L, Neutze, R, Lindkvist-Petersson, K.
Deposit date:2008-10-20
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a Yeast Aquaporin at 1.15 A Reveals a Novel Gating Mechanism
Plos Biol., 7, 2009
2W2E
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BU of 2w2e by Molmil
1.15 Angstrom crystal structure of P.pastoris aquaporin, Aqy1, in a closed conformation at pH 3.5
Descriptor: AQUAPORIN PIP2-7 7, CHLORIDE ION, octyl beta-D-glucopyranoside
Authors:Fischer, G, Kosinska-Eriksson, U, Aponte-Santamaria, C, Palmgren, M, Geijer, C, Hedfalk, K, Hohmann, S, de Groot, B.L, Neutze, R, Lindkvist-Petersson, K.
Deposit date:2008-10-29
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of a Yeast Aquaporin at 1.15 A Reveals a Novel Gating Mechanism.1.15 A
Plos Biol., 7, 2009
5FKA
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BU of 5fka by Molmil
Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor
Descriptor: STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins.
Sci.Rep., 6, 2016
4UDU
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BU of 4udu by Molmil
Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor
Descriptor: ENTEROTOXIN TYPE E, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2014-12-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Plos One, 10, 2015
4UDT
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BU of 4udt by Molmil
T cell receptor (TRAV22,TRBV7-9) structure
Descriptor: GLYCEROL, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2014-12-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Plos One, 10, 2015

 

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