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6WN6
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BU of 6wn6 by Molmil
Crystal structure of 3-keto-D-glucoside 4-epimerase, YcjR, from E. coli, apo form
Descriptor: 1,2-ETHANEDIOL, 3-keto-D-glucoside 4-epimerase, MANGANESE (II) ION
Authors:Mabanglo, M.F, Raushel, F.M, Mukherjee, K.
Deposit date:2020-04-22
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and Reaction Mechanism of YcjR, an Epimerase That Facilitates the Interconversion of d-Gulosides to d-Glucosides inEscherichia coli.
Biochemistry, 59, 2020
5HRM
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BU of 5hrm by Molmil
Crystal structure of phosphotriesterase from Sphingobium sp. TCM1
Descriptor: Haloalkylphosphorus hydrolase, MANGANESE (II) ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2016-01-23
Release date:2016-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Structure of a Novel Phosphotriesterase from Sphingobium sp. TCM1: A Familiar Binuclear Metal Center Embedded in a Seven-Bladed beta-Propeller Protein Fold.
Biochemistry, 55, 2016
5IOJ
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BU of 5ioj by Molmil
Crystal structure of the Sphingobium sp. TCM1 phosphotriesterase without the binuclear manganese center
Descriptor: Haloalkylphosphorus hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2016-03-08
Release date:2016-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure of a Novel Phosphotriesterase from Sphingobium sp. TCM1: A Familiar Binuclear Metal Center Embedded in a Seven-Bladed beta-Propeller Protein Fold.
Biochemistry, 55, 2016
7UVR
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BU of 7uvr by Molmil
Crystal structure of human ClpP protease in complex with TR-65
Descriptor: 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7UVM
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BU of 7uvm by Molmil
Crystal structure of human ClpP protease in complex with TR-27
Descriptor: (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7UVN
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BU of 7uvn by Molmil
Crystal structure of human ClpP protease in complex with TR-57
Descriptor: 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7UVU
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BU of 7uvu by Molmil
Crystal structure of human ClpP protease in complex with TR-107
Descriptor: 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7UW0
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BU of 7uw0 by Molmil
Crystal structure of human ClpP protease in complex with TR-133
Descriptor: 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
3LL5
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BU of 3ll5 by Molmil
Crystal structure of T. acidophilum isopentenyl phosphate kinase product complex
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mabanglo, M.F, Hill, C.P.
Deposit date:2010-01-28
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
3LKK
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BU of 3lkk by Molmil
Crystal structure of the isopentenyl phosphate kinase substrate complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Gamma-glutamyl kinase related protein, Isopentenyl phosphate
Authors:Mabanglo, M.F, Hill, C.P.
Deposit date:2010-01-27
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
4L9P
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BU of 4l9p by Molmil
Crystal structure of Aspergillus fumigatus protein farnesyltransferase complexed with the FII analog, FPT-II, and the KCVVM peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CaaX farnesyltransferase alpha subunit Ram2, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-06-18
Release date:2014-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LNG
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BU of 4lng by Molmil
Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib
Descriptor: 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LNB
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BU of 4lnb by Molmil
Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5
Descriptor: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4MBG
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BU of 4mbg by Molmil
Crystal structure of Aspergillus fumigatus protein farnesyltransferase binary complex with farnesyldiphosphate
Descriptor: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-08-19
Release date:2014-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
6NAW
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BU of 6naw by Molmil
Crystal structure of Neisseria meningitidis ClpP E58A activated mutant
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NB1
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BU of 6nb1 by Molmil
Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06
Descriptor: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
Authors:Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAY
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BU of 6nay by Molmil
Crystal structure of Neisseria meningitidis ClpP protease E31A+E58A activated double mutant
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAH
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BU of 6nah by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in complex with Acyldepsipeptide-14 (ADEP-14)
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide-14, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2018-12-05
Release date:2019-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6W9T
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BU of 6w9t by Molmil
Crystal structure of Neisseria meningitidis ClpP protease complex with small molecule activator ACP1-06
Descriptor: ATP-dependent Clp protease proteolytic subunit, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide, POTASSIUM ION
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2020-03-23
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Development of Antibiotics That Dysregulate the Neisserial ClpP Protease.
Acs Infect Dis., 6, 2020
8SZM
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BU of 8szm by Molmil
Crystal structure of E. coli ClpP protease in complex with phosphine oxide compound ACP6-12
Descriptor: 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide, ATP-dependent Clp protease proteolytic subunit
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2023-05-30
Release date:2024-09-18
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design and Development of Phosphine Oxides as a Novel Chemotype for Antibiotics that Dysregulate Bacterial ClpP Proteases.
J.Med.Chem., 67, 2024
8SZN
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BU of 8szn by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in complex with phosphine oxide compound ACP6-12
Descriptor: 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide, ATP-dependent Clp protease proteolytic subunit
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2023-05-30
Release date:2024-09-18
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Based Design and Development of Phosphine Oxides as a Novel Chemotype for Antibiotics that Dysregulate Bacterial ClpP Proteases.
J.Med.Chem., 67, 2024
4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-14
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
6NAQ
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BU of 6naq by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in Apo form
Descriptor: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION
Authors:Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6BBA
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BU of 6bba by Molmil
Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28
Descriptor: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2017-10-17
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death.
Cell Chem Biol, 25, 2018

 

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數據於2024-10-30公開中

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