PDB: 52540 resultsInfo pagesStatus searchChemie searchBIRD

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2W6O	Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment Descriptor: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3IEW	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ... Authors: Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-07-23 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
3IKE	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-08-05 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
3IKF	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-08-05 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
3MKV	Crystal structure of amidohydrolase eaj56179 Descriptor: CARBONATE ION, GLYCEROL, PUTATIVE AMIDOHYDROLASE, ... Authors: Patskovsky, Y, Bonanno, J, Ozyurt, S, Sauder, J.M, Freeman, J, Wu, B, Smith, D, Bain, K, Rodgers, L, Wasserman, S.R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2010-04-15 Release date: 2010-04-28 Last modified: 2021-02-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily . Biochemistry, 49, 2010
8IC0	Cryo-EM structure of CXCL8 bound C-X-C chemokine receptor 1 in complex with Gi heterotrimer Descriptor: C-X-C chemokine receptor type 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Ishimoto, N, Park, J.H, Park, S.Y. Deposit date: 2023-02-10 Release date: 2023-07-19 Method: ELECTRON MICROSCOPY (3.41 Å) Cite: Structural basis of CXC chemokine receptor 1 ligand binding and activation. Nat Commun, 14, 2023
7P8W	Human erythrocyte catalase cryoEM Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE Authors: Chen, S, Li, J, Vinothkumar, K.R, Henderson, R. Deposit date: 2021-07-23 Release date: 2021-08-25 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (2.2 Å) Cite: Interaction of human erythrocyte catalase with air-water interface in cryoEM. Microscopy (Oxf), 71, 2022
8I60	Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ... Authors: Konuma, T, Zhou, M.-M. Deposit date: 2023-01-26 Release date: 2023-07-26 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin. Mol.Cell, 83, 2023
2V85	Crystal structure of RAG2-PHD finger in complex with H3R2me1K4me3 peptide Descriptor: H3R2ME1K4ME3 PEPTIDE, VDJ RECOMBINATION-ACTIVATING PROTEIN 2, ZINC ION Authors: Ramon-Maiques, S, Yang, W. Deposit date: 2007-08-02 Release date: 2007-12-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: The Plant Homeodomain Finger of Rag2 Recognizes Histone H3 Methylated at Both Lysine-4 and Arginine-2. Proc.Natl.Acad.Sci.USA, 104, 2007
5ND7	Microtubule-bound MKLP2 motor domain in the presence of AMPPNP Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... Authors: Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. Deposit date: 2017-03-07 Release date: 2017-10-04 Method: ELECTRON MICROSCOPY (7.9 Å) Cite: The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry. Elife, 6, 2017
2W6Z	Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment Descriptor: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6Q	Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W71	Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3SXF	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... Authors: Larson, E.T, Merritt, E.A. Deposit date: 2011-07-14 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
2W70	Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3K2X	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with 5'-iodo-cytosine Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-iodocytidine, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-09-30 Release date: 2009-10-13 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
4H0D	New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... Authors: Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) Deposit date: 2012-09-07 Release date: 2012-09-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.498 Å) Cite: New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae To be Published
2W6P	Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3NIR	Crystal structure of small protein crambin at 0.48 A resolution Descriptor: Crambin, ETHANOL Authors: Schmidt, A, Teeter, M, Weckert, E, Lamzin, V.S. Deposit date: 2010-06-16 Release date: 2011-05-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (0.48 Å) Cite: Crystal structure of small protein crambin at 0.48 A resolution Acta Crystallogr.,Sect.F, 67, 2011
3JVH	Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395 Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-09-16 Release date: 2009-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
7OXO	human LonP1, R-state, incubated in AMPPCP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial Authors: Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T. Deposit date: 2021-06-22 Release date: 2021-12-22 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
2W6M	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
6NML	Ternary structure of the T130K mutant of ANT-4'' with Neomycin and AMPCPP Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ... Authors: Cuneo, M.J, Selvaraj, B. Deposit date: 2019-01-11 Release date: 2020-01-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction Acs Catalysis, 2020
4IHH	Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ... Authors: Masoudi, A, Raetz, C.R.H, Pemble, C.W. Deposit date: 2012-12-18 Release date: 2013-11-13 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.132 Å) Cite: Chasing acyl carrier protein through a catalytic cycle of lipid A production. Nature, 505, 2014
4IPE	Crystal structure of mitochondrial Hsp90 (TRAP1) with AMPPNP Descriptor: COBALT (II) ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Partridge, J.R, Lavery, L.A, Agard, D.A. Deposit date: 2013-01-09 Release date: 2014-01-22 Last modified: 2014-08-27 Method: X-RAY DIFFRACTION (2.289 Å) Cite: Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014

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