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7NZD
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BU of 7nzd by Molmil
Fourth SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZC
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BU of 7nzc by Molmil
First SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
5FO4
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BU of 5fo4 by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1)
Descriptor: LEUCYL TRNA SYNTHASE
Authors:Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
Deposit date:2015-11-18
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOC
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BU of 5foc by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21)
Descriptor: LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOD
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BU of 5fod by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3
Descriptor: 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOF
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BU of 5fof by Molmil
Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain
Descriptor: LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
4CQN
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BU of 4cqn by Molmil
Crystal structure of the E.coli LeuRS-tRNA complex with the non- cognate isoleucyl adenylate analogue
Descriptor: ESCHERICHIA COLI TRNA-LEU UAA ISOACCEPTOR, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
Authors:Palencia, A, Cusack, S, Cvetesic, N, Haslaz, I, Gruic-Sovulj, I.
Deposit date:2014-02-20
Release date:2014-07-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Physiological Target for Leurs Translational Quality Control is Norvaline
Embo J., 33, 2014
9FT9
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BU of 9ft9 by Molmil
Structure of the bipartite JNK1-JIP1 complex
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Isoform 1 of Mitogen-activated protein kinase 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Orand, T, Delaforge, E, Palencia, A, Jensen, M.R.
Deposit date:2024-06-24
Release date:2025-02-05
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Bipartite binding of the intrinsically disordered scaffold protein JIP1 to the kinase JNK1.
Proc.Natl.Acad.Sci.USA, 122, 2025
6LPF
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BU of 6lpf by Molmil
The crystal structure of human cytoplasmic LRS
Descriptor: 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ...
Authors:Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
Deposit date:2020-01-10
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
Deposit date:2014-08-20
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
Authors:Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
Deposit date:2020-01-15
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
7NYL
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BU of 7nyl by Molmil
Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYO
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BU of 7nyo by Molmil
Mutant A541L of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: 1,2-ETHANEDIOL, SH3 domain of JNK-interacting Protein 1 (JIP1), SULFATE ION, ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYK
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BU of 7nyk by Molmil
SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: SH3 domain of JNK-interacting Protein 1 (JIP1)
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-22
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYM
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BU of 7nym by Molmil
Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZB
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BU of 7nzb by Molmil
Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1)
Descriptor: PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL
Authors:Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYN
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BU of 7nyn by Molmil
Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
5ETA
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BU of 5eta by Molmil
Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24
Descriptor: Mitogen-activated protein kinase 14, Putative transmembrane protein
Authors:Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
Deposit date:2015-11-17
Release date:2016-10-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5ETF
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BU of 5etf by Molmil
Structure of dead kinase MAPK14 with bound the KIM domain of MKK6
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14
Authors:Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
Deposit date:2015-11-17
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5AGJ
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BU of 5agj by Molmil
Crystal structure of the LeuRS editing domain of Candida albicans in complex with the adduct AN2690-AMP
Descriptor: POTENTIAL CYTOSOLIC LEUCYL TRNA SYNTHETASE, [(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Zhao, H, Palencia, A, Seiradake, E, Ghaemi, Z, Luthey-Schulten, Z, Cusack, S, Martinis, S.A.
Deposit date:2015-02-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight Into the Leucyl-tRNA Synthetase Editing Mechanism.
Acs Chem.Biol., 10, 2015
5AGI
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BU of 5agi by Molmil
Crystal structure of the LeuRS editing domain of Candida albicans Mutant K510A in complex with the adduct formed by AN2690-AMP
Descriptor: GLYCEROL, POTENTIAL CYTOSOLIC LEUCYL TRNA SYNTHETASE, [(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Zhao, H, Palencia, A, Seiradake, E, Ghaemi, Z, Luthey-Schulten, Z, Cusack, S, Martinis, S.A.
Deposit date:2015-02-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight Into the Leucyl-tRNA Synthetase Editing Mechanism.
Acs Chem.Biol., 10, 2015
5AGH
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BU of 5agh by Molmil
Crystal structure of the LeuRS editing domain of Candida albicans Mutant K510A
Descriptor: ACETATE ION, POTENTIAL CYTOSOLIC LEUCYL TRNA SYNTHETASE
Authors:Zhao, H, Palencia, A, Seiradake, E, Ghaemi, Z, Luthey-Schulten, Z, Cusack, S, Martinis, S.A.
Deposit date:2015-02-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight Into the Leucyl-tRNA Synthetase Editing Mechanism.
Acs Chem.Biol., 10, 2015
3ZJT
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BU of 3zjt by Molmil
Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
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BU of 3zjv by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation
Descriptor: LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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BU of 3zju by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013

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