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4DV8
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BU of 4dv8 by Molmil
Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421
Descriptor: (2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide, Lethal factor, MALONATE ION, ...
Authors:Margosiak, S.A, Sankaran, B.
Deposit date:2012-02-22
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain.
Bioorg.Med.Chem.Lett., 22, 2012
4PKW
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BU of 4pkw by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
Descriptor: 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
5D1S
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BU of 5d1s by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
4PKR
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BU of 4pkr by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 10
Descriptor: CHLORIDE ION, GLYCEROL, Lethal factor, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKQ
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BU of 4pkq by Molmil
Anthrax toxin lethal factor with bound zinc
Descriptor: 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
5D1T
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BU of 5d1t by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
1J7N
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BU of 1j7n by Molmil
Anthrax Toxin Lethal factor
Descriptor: Lethal Factor precursor, SULFATE ION, ZINC ION
Authors:Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
Deposit date:2001-05-17
Release date:2001-11-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
4PKS
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BU of 4pks by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 11
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
1YQY
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BU of 1yqy by Molmil
Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor
Descriptor: (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION
Authors:Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A.
Deposit date:2005-02-02
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anthrax lethal factor inhibition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4XM6
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BU of 4xm6 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
Authors:Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4PKU
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BU of 4pku by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 15
Descriptor: Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKT
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BU of 4pkt by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 13
Descriptor: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide, ZINC ION
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKV
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BU of 4pkv by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 16
Descriptor: Lethal factor, N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4WF6
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BU of 4wf6 by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
Authors:Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
Deposit date:2014-09-12
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6521 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
1ZXV
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BU of 1zxv by Molmil
X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid.
Descriptor: (E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID, ZINC ION, lethal factor
Authors:Wong, T.Y, Liddington, R.C.
Deposit date:2005-06-08
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Efficient synthetic inhibitors of anthrax lethal factor.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4XM8
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BU of 4xm8 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: Lethal factor, N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XM7
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BU of 4xm7 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
1PWU
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BU of 1pwu by Molmil
Crystal Structure of Anthrax Lethal Factor complexed with (3-(N-hydroxycarboxamido)-2-isobutylpropanoyl-Trp-methylamide), a known small molecule inhibitor of matrix metalloproteases.
Descriptor: 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, Lethal factor, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1PWW
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BU of 1pww by Molmil
Crystal structure of Anthrax Lethal Factor active site mutant protein complexed with an optimised peptide substrate in the presence of zinc.
Descriptor: LF20, Lethal factor, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-01-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1PWV
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BU of 1pwv by Molmil
Crystal structure of Anthrax Lethal Factor wild-type protein complexed with an optimised peptide substrate.
Descriptor: LF20, Lethal factor
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
5D1U
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BU of 5d1u by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8503 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
1PWP
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BU of 1pwp by Molmil
Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155
Descriptor: Lethal factor, N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-01-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of small molecule inhibitors of anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
6ZXJ
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BU of 6zxj by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state, in which the third lethal factor is masked out (PA7LF3-masked)
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
1PWQ
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BU of 1pwq by Molmil
Crystal structure of Anthrax Lethal Factor complexed with Thioacetyl-Tyr-Pro-Met-Amide, a metal-chelating peptidyl small molecule inhibitor
Descriptor: Lethal factor, N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-01-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
6ZXK
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BU of 6zxk by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020

 

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