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1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Authors:Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
Deposit date:2000-07-19
Release date:2000-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1Z1D
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BU of 1z1d by Molmil
Structural Model for the interaction between RPA32 C-terminal domain and SV40 T antigen origin binding domain.
Descriptor: Large T antigen, Replication protein A 32 kDa subunit
Authors:Arunkumar, A.I, Klimovich, V, Jiang, X, Ott, R.D, Mizoue, L, Fanning, E, Chazin, W.J.
Deposit date:2005-03-03
Release date:2005-05-17
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Insights into hRPA32 C-terminal domain--mediated assembly of the simian virus 40 replisome.
Nat.Struct.Mol.Biol., 12, 2005
1DJR
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BU of 1djr by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE
Descriptor: BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ...
Authors:Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:1999-12-03
Release date:2000-06-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes.
Acta Crystallogr.,Sect.D, 56, 2000
4E2I
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BU of 4e2i by Molmil
The Complex Structure of the SV40 Helicase Large T Antigen and p68 Subunit of DNA Polymerase Alpha-Primase
Descriptor: DNA polymerase alpha subunit B, Large T antigen, ZINC ION
Authors:Zhou, B, Arnett, D.R, Yu, X, Brewster, A, Sowd, G.A, Xie, C.L, Vila, S, Gai, D, Fanning, E, Chen, X.S.
Deposit date:2012-03-08
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (5 Å)
Cite:Structural basis for the interaction of a hexameric replicative helicase with the regulatory subunit of human DNA polymerase alpha-primase.
J.Biol.Chem., 287, 2012
4EG6
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BU of 4eg6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325
Descriptor: 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG1
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BU of 4eg1 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG8
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BU of 4eg8 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89
Descriptor: 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG4
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BU of 4eg4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289
Descriptor: 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EGA
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BU of 4ega by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320
Descriptor: 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
1N25
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BU of 1n25 by Molmil
Crystal structure of the SV40 Large T antigen helicase domain
Descriptor: Large T Antigen, ZINC ION
Authors:Li, D, Zhao, R, Lilyestrom, W, Gai, D, Zhang, R, DeCaprio, J.A, Fanning, E, Jochimiak, A, Szakonyi, G, Chen, X.S.
Deposit date:2002-10-21
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the replicative helicase of the oncoprotein SV40 large tumour antigen
Nature, 423, 2003
1PZK
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BU of 1pzk by Molmil
Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h
Descriptor: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
Authors:Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
Deposit date:2003-07-11
Release date:2004-03-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
1PZJ
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BU of 1pzj by Molmil
Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5
Descriptor: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE
Authors:Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
Deposit date:2003-07-11
Release date:2004-03-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
1PZI
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BU of 1pzi by Molmil
Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a
Descriptor: Heat-labile Enterotoxin B subunit, N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
Authors:Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
Deposit date:2003-07-11
Release date:2004-03-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
1RDP
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BU of 1rdp by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3
Descriptor: 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-05
Release date:2004-10-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1RF2
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BU of 1rf2 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
Descriptor: 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-07
Release date:2004-10-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1RD9
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BU of 1rd9 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2
Descriptor: 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-05
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1RCV
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BU of 1rcv by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
Descriptor: [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB)
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-04
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
4GFT
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BU of 4gft by Molmil
Malaria invasion machinery protein-Nanobody complex
Descriptor: 1,2-ETHANEDIOL, Myosin A tail domain interacting protein, Nanobody
Authors:Khamrui, S, Turley, S, Pardon, E, Steyaert, J, Verlinde, C, Fan, E, Bergman, L.W, Hol, W.G.J.
Deposit date:2012-08-03
Release date:2013-07-03
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Descriptor: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
Authors:Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
2KEB
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BU of 2keb by Molmil
NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit
Descriptor: DNA polymerase subunit alpha B
Authors:Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E.
Deposit date:2009-01-28
Release date:2010-02-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome.
J.Biol.Chem., 285, 2010
4EG3
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BU of 4eg3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate
Descriptor: GLYCEROL, Methionyl-tRNA synthetase, putative, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG5
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BU of 4eg5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312
Descriptor: 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG7
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BU of 4eg7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1331
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4MW2
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BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
Descriptor: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW7
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BU of 4mw7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
Descriptor: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014

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