4J76
 
 | | Crystal Structure of a parasite tRNA synthetase, ligand-free | | Descriptor: | GLYCEROL, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
|
|
4J75
 | | Crystal Structure of a parasite tRNA synthetase, product-bound | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
|
|
4O5Y
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), POTASSIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4O5X
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine. | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4O5W
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4O5Z
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), SODIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4EG6
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325 | | Descriptor: | 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG8
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89 | | Descriptor: | 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1331 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.747 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG5
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312 | | Descriptor: | 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG4
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 | | Descriptor: | 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EGA
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 | | Descriptor: | 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate | | Descriptor: | GLYCEROL, Methionyl-tRNA synthetase, putative, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
4EG1
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine | | Descriptor: | GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
|
|
1GYP
 | | CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM LEISHMANIA MEXICANA: IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN AND A NEW POSITION FOR THE INORGANIC PHOSPHATE BINDING SITE | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Kim, H, Feil, I.K, Verlinde, C.L.M.J, Petra, P.H, Hol, W.G.J. | | Deposit date: | 1995-08-01 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Leishmania mexicana: implications for structure-based drug design and a new position for the inorganic phosphate binding site.
Biochemistry, 34, 1995
|
|
1I33
 | | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-02-12 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.
J.Mol.Biol., 309, 2001
|
|
1I32
 | | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-02-12 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.
J.Mol.Biol., 309, 2001
|
|
6Z1M
 | | Structure of an Ancestral glycosidase (family 1) bound to heme | | Descriptor: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | | Deposit date: | 2020-05-14 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
|
|
4UFN
 | | Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
|
|
6MS8
 | | Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | | Descriptor: | Chalcone-flavonone isomerase family protein, NARINGENIN | | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | Deposit date: | 2018-10-16 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
|
|
6TXD
 | | Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | Descriptor: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
|
|
6TY6
 | | Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | | Deposit date: | 2020-01-15 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
|
|
6TWW
 | | Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | Descriptor: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
|
|
9B2I
 | | Structure of the quorum quenching lactonase GcL G156P mutant | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ... | | Authors: | Corbella, M, Bravo, J.A, Demkiv, A.O, Calixto, A.R, Sompiyachoke, K, Bergonzi, C, Kamerlin, S.C.L, Elias, M. | | Deposit date: | 2024-03-15 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases.
Jacs Au, 4, 2024
|
|
9B2L
 | | Structure of the quorum quenching lactonase GcL D122N mutant - bimetallic center | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Corbella, M, Bravo, J.A, Demkiv, A.O, Calixto, A.R, Sompiyachoke, K, Bergonzi, C, Kamerlin, S.C.L, Elias, M. | | Deposit date: | 2024-03-15 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases.
Jacs Au, 4, 2024
|
|
