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4XLL
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BU of 4xll by Molmil
Toxoplasma gondii DJ-1, oxidized
Descriptor: DJ-1 family protein
Authors:Child, M.A, Wilson, M.A, Reese, M.L, Bogyo, M.
Deposit date:2015-01-13
Release date:2015-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Toxoplasma DJ-1 regulates microneme exocytosis through an association with the plant-like kinase, CDPK1
To Be Published
5FMG
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BU of 5fmg by Molmil
Structure and function based design of Plasmodium-selective proteasome inhibitors
Descriptor: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ...
Authors:Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M.
Deposit date:2015-11-04
Release date:2016-03-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
3EEB
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BU of 3eeb by Molmil
Structure of the V. cholerae RTX cysteine protease domain
Descriptor: INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION
Authors:Lupardus, P.J, Shen, A, Bogyo, M, Garcia, K.C.
Deposit date:2008-09-04
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain
Science, 322, 2008
3GCD
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BU of 3gcd by Molmil
Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor
Descriptor: INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION, ...
Authors:Lupardus, P.J, Garcia, K.C, Shen, A, Bogyo, M.
Deposit date:2009-02-21
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin.
Nat.Chem.Biol., 5, 2009
6WCX
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BU of 6wcx by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, substrate bound
Descriptor: Esterase family protein, HEPTAN-1-OL
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-03-31
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
7LW1
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BU of 7lw1 by Molmil
Human phosphofructokinase-1 liver type bound to activator NA-11
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lynch, E.M, Kollman, J.M, Webb, B.
Deposit date:2021-02-27
Release date:2022-01-26
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Selective activation of PFKL suppresses the phagocytic oxidative burst.
Cell, 184, 2021
3STH
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BU of 3sth by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Toxoplasma gondii
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Staker, B.L, Edwards, T.E, Sankaran, B.
Deposit date:2011-07-10
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Membrane skeletal association and post-translational allosteric regulation of Toxoplasma gondii GAPDH1.
Mol.Microbiol., 103, 2017
6VH9
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BU of 6vh9 by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, apo form
Descriptor: Esterase family protein, SODIUM ION
Authors:Fellner, M, Jamieson, S.A, Brewster, J.L, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
6VHE
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BU of 6vhe by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT130 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
6VHD
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BU of 6vhd by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT129 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
2NQI
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BU of 2nqi by Molmil
Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor.
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
Authors:Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
2NQG
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BU of 2nqg by Molmil
Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor.
Descriptor: 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit
Authors:Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
3PA8
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BU of 3pa8 by Molmil
Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor
Descriptor: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2010-10-18
Release date:2010-12-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
3PEE
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BU of 3pee by Molmil
Structure of the C. difficile TcdB cysteine protease domain
Descriptor: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, Toxin B
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2010-10-26
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining an allosteric circuit in the cysteine protease domain of Clostridium difficile toxins.
Nat.Struct.Mol.Biol., 18, 2011
3F75
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BU of 3f75 by Molmil
Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2008-11-07
Release date:2008-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
1IM3
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BU of 1im3 by Molmil
Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax
Descriptor: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, Human T-cell lymphotropic virus type 1 Tax peptide, ...
Authors:Gewurz, B.E, Gaudet, R, Tortorella, D, Wang, E.W, Ploegh, H.L, Wiley, D.C.
Deposit date:2001-05-09
Release date:2001-06-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antigen presentation subverted: Structure of the human cytomegalovirus protein US2 bound to the class I molecule HLA-A2.
Proc.Natl.Acad.Sci.USA, 98, 2001

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