PDB: 68717 resultsInfo pagesStatus searchChemie searchBIRD

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3CVP	Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (10-SKL) Descriptor: 10-SKL PTS1 peptide Ac-GTLSNRASKL, Peroxisome targeting signal 1 receptor PEX5 Authors: Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. Deposit date: 2008-04-18 Release date: 2008-06-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5. J.Mol.Biol., 381, 2008
3CVN	Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) PTS1 peptide Descriptor: 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor, T. brucei GAPDH PTS1 peptide Ac-DRDAAKL Authors: Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. Deposit date: 2008-04-18 Release date: 2008-06-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5. J.Mol.Biol., 381, 2008
3RU6	1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168 Descriptor: CHLORIDE ION, IODIDE ION, Orotidine 5'-phosphate decarboxylase Authors: Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-05-04 Release date: 2011-05-18 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published
3OTR	2.75 Angstrom Crystal Structure of Enolase 1 from Toxoplasma gondii Descriptor: CHLORIDE ION, Enolase, SULFATE ION Authors: Minasov, G, Ruan, J, Shuvalova, L, Halavaty, A, Ngo, H, Tomavo, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-09-13 Release date: 2010-09-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.75 Å) Cite: The structure of bradyzoite-specific enolase from Toxoplasma gondii reveals insights into its dual cytoplasmic and nuclear functions. Acta Crystallogr.,Sect.D, 71, 2015
3OPZ	Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody Descriptor: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ... Authors: Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A. Deposit date: 2010-09-02 Release date: 2011-11-09 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors. Plos Pathog., 8, 2012
3OO2	2.37 Angstrom resolution crystal structure of an alanine racemase (alr) from Staphylococcus aureus subsp. aureus COL Descriptor: Alanine racemase 1, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ... Authors: Halavaty, A.S, Shuvalova, L, Minasov, G, Winsor, J, Dubrovska, I, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-08-30 Release date: 2010-10-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.37 Å) Cite: 2.37 Angstrom resolution crystal structure of an alanine racemase (alr) from Staphylococcus aureus subsp. aureus COL TO BE PUBLISHED
3SG1	2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis Descriptor: TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 Authors: Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-06-14 Release date: 2011-06-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: 2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis. TO BE PUBLISHED
6X5Q	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1 Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor 1 Authors: Ozden, C, Stratton, M.M, Garman, S.C. Deposit date: 2020-05-26 Release date: 2020-12-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.14 Å) Cite: CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
6X5G	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and LRRC7 inhibitory domain Descriptor: BICINE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ... Authors: Ozden, C, Stratton, M.M, Garman, S.C. Deposit date: 2020-05-26 Release date: 2020-12-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
5E5E	X-ray structure of the adduct formed in the reaction between RNase A and a neutral organometallic derivative [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) Descriptor: DIMETHYL SULFOXIDE, PLATINUM (II) ION, Ribonuclease pancreatic Authors: Merlino, A. Deposit date: 2015-10-08 Release date: 2015-12-09 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015
5E63	K262A mutant of I-SmaMI Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ... Authors: Shen, B, Stoddard, B. Deposit date: 2015-10-09 Release date: 2016-01-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
5DP9	Crystal Structure of EV71 3C Proteinase in complex with compound 9 Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Authors: Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. Deposit date: 2015-09-12 Release date: 2016-03-30 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
4W1V	Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... Authors: Finzel, B.C, Dai, R. Deposit date: 2014-08-13 Release date: 2015-02-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
6T37	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... Authors: Alphey, M.S, Xiao, G, Westwood, J.N. Deposit date: 2019-10-10 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.079 Å) Cite: Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
4WD2	Crystal structure of an aromatic amino acid aminotransferase from Burkholderia cenocepacia J2315 Descriptor: Aromatic-amino-acid transaminase TyrB, GLYCEROL Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2014-09-06 Release date: 2014-10-08 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of an aromatic amino acid aminotransferase from Burkholderia cenocepacia J2315 to be published
5DY5	Crystal structure of human Sirt2 in complex with a SirReal probe fragment Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. Deposit date: 2015-09-24 Release date: 2016-01-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure-Based Development of an Affinity Probe for Sirtuin 2. Angew.Chem.Int.Ed.Engl., 55, 2016
5E9R	X-ray structure of the complex between lysozyme and the compound fac, cis-[RuII(CO)3Cl2(N3-MBI), MBI=N-methyl-benzimidazole Descriptor: CARBON MONOXIDE, CHLORIDE ION, Lysozyme C, ... Authors: Merlino, A. Deposit date: 2015-10-15 Release date: 2016-10-26 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: {Ru(CO)x}-core Complexes with N-Methylbenzimidazole (MBI) and 5,6-Dimethylbenzimidazole (DMBI) as Possible Metal Based Drugs and CO Release Materials. Synthesis, X-ray Structure and Evaluation of Cytotoxic Activity against Human Cancer Cells To Be Published
5E67	K103A/K262A double mutant of I-SmaMI Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ... Authors: Shen, B.W, Stoddard, B. Deposit date: 2015-10-09 Release date: 2016-01-13 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
5EDK	Crystal structure of prothrombin deletion mutant residues 146-167 ( Form II ). Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... Authors: Pozzi, N, Chen, Z, Di Cera, E. Deposit date: 2015-10-21 Release date: 2016-01-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (3.214 Å) Cite: How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
6TQG	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... Authors: Alphey, M.S, Xiao, G, Westwood, J.N. Deposit date: 2019-12-16 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
5DW8	Crystal structure of 2'AMP bound SaIMPase-II Descriptor: ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, GLYCEROL, ... Authors: Dutta, A, Bhattacharyya, S, Das, A.K. Deposit date: 2015-09-22 Release date: 2015-12-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of 2'AMP bound SaIMPase-II To Be Published
6G5U	Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2018-03-30 Release date: 2019-03-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem, 156, 2018
6TRJ	LEDGF/p75 IBD dimer Descriptor: PC4 and SFRS1-interacting protein Authors: Kugler, M, Brynda, J. Deposit date: 2019-12-19 Release date: 2020-09-09 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Fine-tuning of the LEDGF/p75 interaction network by dimerization Structure
6XE3	Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... Authors: Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. Deposit date: 2020-06-11 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. To be Published
6XQK	Crystal structure of the D/D domain of PKA from S. cerevisiae Descriptor: CHLORIDE ION, GLYCEROL, cAMP-dependent protein kinase regulatory subunit Authors: Larrieux, N, Gonzalez Bardeci, N, Trajtenberg, F, Buschiazzo, A. Deposit date: 2020-07-09 Release date: 2021-04-14 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.56 Å) Cite: The crystal structure of yeast regulatory subunit reveals key evolutionary insights into Protein Kinase A oligomerization. J.Struct.Biol., 213, 2021

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