1C0Q
 
 | | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | | Deposit date: | 1999-07-20 | | Release date: | 1999-07-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
|
|
3H1C
 | |
8S3X
 | | LIM Domain Kinase 2 (LIMK2) bound to compound 52 | | Descriptor: | 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2 | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S. | | Deposit date: | 2024-02-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization.
Eur.J.Med.Chem., 271, 2024
|
|
6DAQ
 | | PhdJ bound to substrate intermediate | | Descriptor: | PhdJ | | Authors: | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-10 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
|
|
6DAO
 | | NahE WT selenomethionine | | Descriptor: | Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase | | Authors: | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | | Deposit date: | 2018-05-01 | | Release date: | 2019-05-08 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.939 Å) | | Cite: | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
|
|
6RTI
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Kolenko, P, Barinka, C. | | Deposit date: | 2019-05-24 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Nucleic Acids Res., 48, 2020
|
|
1KTR
 | | Crystal Structure of the Anti-His Tag Antibody 3D5 Single-Chain Fragment (scFv) in Complex with a Oligohistidine peptide | | Descriptor: | Anti-his tag antibody 3d5 variable light chain, Peptide linker, Anti-his tag antibody 3d5 variable heavy chain, ... | | Authors: | Kaufmann, M, Lindner, P, Honegger, A, Blank, K, Tschopp, M, Capitani, G, Plueckthun, A, Gruetter, M.G. | | Deposit date: | 2002-01-17 | | Release date: | 2002-05-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the anti-His tag antibody 3D5 single-chain fragment complexed to its antigen.
J.Mol.Biol., 318, 2002
|
|
5D6S
 | | Structure of epoxyqueuosine reductase from Streptococcus thermophilus. | | Descriptor: | COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER | | Authors: | Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D. | | Deposit date: | 2015-08-12 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
|
|
5D29
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | | Deposit date: | 2015-08-05 | | Release date: | 2016-04-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
|
|
5ELY
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | | Deposit date: | 2015-11-05 | | Release date: | 2016-04-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
|
|
3GCM
 | |
6SGP
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | | Descriptor: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Shukla, S, Motlova, L. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
|
|
6QIX
 | | The crystal structure of Trichuris muris p43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Levy, C.W. | | Deposit date: | 2019-01-21 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
|
|
6S84
 | | TsaBDE complex from Thermotoga maritima | | Descriptor: | ATPase YjeE, predicted to have essential role in cell wall biosynthesis, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Missoury, S, Li-de-La-Sierra-Gallay, I, van Tilbeurgh, H. | | Deposit date: | 2019-07-08 | | Release date: | 2019-07-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The structure of the TsaB/TsaD/TsaE complex reveals an unexpected mechanism for the bacterial t6A tRNA-modification.
Nucleic Acids Res., 46, 2018
|
|
3GME
 | |
6DAN
 | | PhdJ WT 2 Angstroms resolution | | Descriptor: | CHLORIDE ION, PhdJ | | Authors: | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
|
|
5RSA
 | |
3GLL
 | | Crystal structure of Polynucleotide Phosphorylase (PNPase) core | | Descriptor: | Polyribonucleotide nucleotidyltransferase | | Authors: | Nurmohamed, S, Luisi, B.L. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly.
J.Mol.Biol., 389, 2009
|
|
6SKH
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp | | Descriptor: | (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Novakova, Z, Barinka, C. | | Deposit date: | 2019-08-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
|
|
2C4J
 | | Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate | | Descriptor: | GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | | Authors: | Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B. | | Deposit date: | 2005-10-20 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
1RNC
 | | NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | | Deposit date: | 1991-10-21 | | Release date: | 1994-01-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
|
|
2CBM
 | | Crystal structure of the apo-form of a neocarzinostatin mutant evolved to bind testosterone. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NEOCARZINOSTATIN | | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
|
|
2CBQ
 | | Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate. | | Descriptor: | NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE | | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
|
|
1R9N
 | | Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ... | | Authors: | Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S. | | Deposit date: | 2003-10-30 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
|
|
2CBO
 | | Crystal structure of the neocarzinostatin 3Tes24 mutant bound to testosterone hemisuccinate. | | Descriptor: | NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE | | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, van Tilbeurgh, H, Minard, P. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
|
|
