8E71
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![BU of 8e71 by Molmil](/molmil-images/mine/8e71) | Staphylococcus aureus ClpP in complex with compound 3471 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2022-08-23 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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8DLA
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![BU of 8dla by Molmil](/molmil-images/mine/8dla) | ClpP2 from Chlamydia trachomatis bound by MAS1-12 | Descriptor: | 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one, ATP-dependent Clp protease proteolytic subunit 2, GLYCEROL, ... | Authors: | Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O. | Deposit date: | 2022-07-07 | Release date: | 2023-08-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The structure of caseinolytic protease subunit ClpP2 reveals a functional model of the caseinolytic protease system from Chlamydia trachomatis. J.Biol.Chem., 299, 2023
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6L3X
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![BU of 6l3x by Molmil](/molmil-images/mine/6l3x) | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | Deposit date: | 2019-10-15 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3054 Å) | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo. J.Med.Chem., 63, 2020
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6M4B
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6N80
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![BU of 6n80 by Molmil](/molmil-images/mine/6n80) | S. aureus ClpP bound to anti-4a | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2018-11-28 | Release date: | 2019-06-26 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX. J.Med.Chem., 62, 2019
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8EF8
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![BU of 8ef8 by Molmil](/molmil-images/mine/8ef8) | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2022-09-08 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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6MX2
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6NB1
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![BU of 6nb1 by Molmil](/molmil-images/mine/6nb1) | 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
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6NAY
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6NAH
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![BU of 6nah by Molmil](/molmil-images/mine/6nah) | |
6NAW
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7UVR
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![BU of 7uvr by Molmil](/molmil-images/mine/7uvr) | 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
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7UVU
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![BU of 7uvu by Molmil](/molmil-images/mine/7uvu) | 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
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7UW0
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![BU of 7uw0 by Molmil](/molmil-images/mine/7uw0) | 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
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7UVM
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![BU of 7uvm by Molmil](/molmil-images/mine/7uvm) | 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
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7UVN
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![BU of 7uvn by Molmil](/molmil-images/mine/7uvn) | 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
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7VP9
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![BU of 7vp9 by Molmil](/molmil-images/mine/7vp9) | Crystal structure of human ClpP in complex with ZG111 | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2021-10-15 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma. Cell Chem Biol, 29, 2022
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6TTY
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![BU of 6tty by Molmil](/molmil-images/mine/6tty) | Structure of ClpP from Staphylococcus aureus (apo, closed state) | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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6TTZ
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![BU of 6ttz by Molmil](/molmil-images/mine/6ttz) | Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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6VGQ
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![BU of 6vgq by Molmil](/molmil-images/mine/6vgq) | ClpP1P2 complex from M. tuberculosis with GLF-CMK bound to ClpP1 | Descriptor: | ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, Z-Gly-leu-phe-CH2Cl | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VGK
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![BU of 6vgk by Molmil](/molmil-images/mine/6vgk) | ClpP1P2 complex from M. tuberculosis | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VGN
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![BU of 6vgn by Molmil](/molmil-images/mine/6vgn) | ClpP1P2 complex from M. tuberculosis bound to ADEP | Descriptor: | ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, R0M-WFP-ALO-PRO-YCP-ALA-MP8 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W9T
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6WRF
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![BU of 6wrf by Molmil](/molmil-images/mine/6wrf) | ClpX-ClpP complex bound to GFP-ssrA, recognition complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ... | Authors: | Fei, X, Sauer, R.T. | Deposit date: | 2020-04-29 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates. Elife, 9, 2020
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6WSG
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![BU of 6wsg by Molmil](/molmil-images/mine/6wsg) | ClpX-ClpP complex bound to ssrA-tagged GFP, intermediate complex | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, Green fluorescent protein, ... | Authors: | Fei, X, Sauer, R.T. | Deposit date: | 2020-04-30 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates. Elife, 9, 2020
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