PDB: 92212 resultsInfo pagesStatus searchChemie searchBIRD

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6JJ0	NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4 Authors: Liu, W, Lin, C, Yang, D. Deposit date: 2019-02-24 Release date: 2019-10-30 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition. Nucleic Acids Res., 47, 2019
4XRF	Crystal structure of MepR like protein complexed with pseudoligands Descriptor: GLYCEROL, ISOQUINOLINE, LAURIC ACID, ... Authors: Hong, M, Kim, M.I, Cho, M.U. Deposit date: 2015-01-21 Release date: 2016-02-10 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Crystal structure of MepR like protein complexed with pseudoligands to be published
1PSD	THE ALLOSTERIC LIGAND SITE IN THE VMAX-TYPE COOPERATIVE ENZYME PHOSPHOGLYCERATE DEHYDROGENASE Descriptor: D-3-PHOSPHOGLYCERATE DEHYDROGENASE (PHOSPHOGLYCERATE DEHYDROGENASE), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SERINE Authors: Schuller, D.J, Grant, G.A, Banaszak, L.J. Deposit date: 1995-05-02 Release date: 1995-07-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.75 Å) Cite: The allosteric ligand site in the Vmax-type cooperative enzyme phosphoglycerate dehydrogenase. Nat.Struct.Biol., 2, 1995
7E7V	Crystal structure of RSL mutant in complex with sugar Ligand Descriptor: 2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein, GLYCEROL Authors: Li, L, Chen, G.S. Deposit date: 2021-02-28 Release date: 2021-04-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Crystal structure of RSL mutant in complex with Ligand To Be Published
6UOJ	Crystal structure of cytosolic fumarate hydratase from Leishmania major in a complex with succinate Descriptor: Fumarate hydratase 2, GLYCEROL, IRON/SULFUR CLUSTER, ... Authors: Feliciano, P.R, Drennan, C.L. Deposit date: 2019-10-15 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major. Biochemistry, 58, 2019
6UPM	Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate Descriptor: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, GLYCEROL, ... Authors: Feliciano, P.R, Drennan, C.L. Deposit date: 2019-10-17 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major. Biochemistry, 58, 2019
7E7U	Crystal structure of RSL mutant in complex with sugar Ligand Descriptor: 2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein, GLYCEROL Authors: Li, L, Chen, G.S. Deposit date: 2021-02-27 Release date: 2021-04-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of RSL mutant in complex with Ligand To Be Published
6UP9	Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with malonate Descriptor: Fumarate hydratase 2, GLYCEROL, IRON/SULFUR CLUSTER, ... Authors: Feliciano, P.R, Drennan, C.L. Deposit date: 2019-10-16 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.949 Å) Cite: Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major. Biochemistry, 58, 2019
6UPO	Crystal structure of H334A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate Descriptor: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, IRON/SULFUR CLUSTER Authors: Feliciano, P.R, Drennan, C.L. Deposit date: 2019-10-18 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.113 Å) Cite: Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major. Biochemistry, 58, 2019
6UQ8	Crystal structure of R421A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate and malonate Descriptor: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, GLYCEROL, ... Authors: Feliciano, P.R, Drennan, C.L. Deposit date: 2019-10-18 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.339 Å) Cite: Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major. Biochemistry, 58, 2019
4P46	J809.B5 Y31A TCR bound to IAb3K Descriptor: 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... Authors: Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J. Deposit date: 2014-03-11 Release date: 2014-05-28 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.851 Å) Cite: Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
6V61	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... Authors: Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-12-04 Release date: 2019-12-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril. To Be Published
3IRW	Structure of a c-di-GMP riboswitch from V. cholerae Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... Authors: Smith, K.D. Deposit date: 2009-08-24 Release date: 2009-11-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis of ligand binding by a c-di-GMP riboswitch. Nat.Struct.Mol.Biol., 16, 2009
6V5M	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ... Authors: Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-12-04 Release date: 2019-12-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate. To Be Published
6V71	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... Authors: Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-12-06 Release date: 2019-12-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site To Be Published
2HPG	The crystal structure of a thermophilic TRAP periplasmic binding protein Descriptor: ABC transporter, periplasmic substrate-binding protein Authors: Cuneo, M.J, Hellinga, H.W. Deposit date: 2006-07-17 Release date: 2007-03-20 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural analysis of a periplasmic binding protein in the tripartite ATP-independent transporter family reveals a tetrameric assembly that may have a role in ligand transport. J.Biol.Chem., 283, 2008
3WMH	Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75 Descriptor: N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma Authors: Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M. Deposit date: 2013-11-19 Release date: 2014-11-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Human PPRR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75 TO BE PUBLISHED
6JKE	Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ... Authors: Padmanabhan, B, Mathur, S, Deshmukh, P. Deposit date: 2019-02-28 Release date: 2020-07-01 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma. Biochem.J., 477, 2020
6V3T	X-Ray Crystal Structure of Tribolium castaneum Arylalkylamine N-acyltransferase in Complex with Acetyl-CoA Descriptor: ACETYL COENZYME *A, Dopamine N-acetyltransferase-like Protein Authors: Lewandowski, E.M, Chen, Y. Deposit date: 2019-11-26 Release date: 2020-02-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.84 Å) Cite: Characterization of ArylalkylamineN-Acyltransferase fromTribolium castaneum: An Investigation into a Potential Next-Generation Insecticide Target. Acs Chem.Biol., 15, 2020
2HRM	Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase Authors: Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G. Deposit date: 2006-07-20 Release date: 2007-07-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site. Proteins, 71, 2008
6C41	The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues Descriptor: Clavanin-A Authors: Alves, E.S.F, Liao, L.M. Deposit date: 2018-01-11 Release date: 2018-02-07 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity. Sci Rep, 6, 2016
3ITZ	Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14 Authors: Mohr, C, Jordan, S. Deposit date: 2009-08-28 Release date: 2010-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 20, 2010
2CPY	solution structure of RNA binding domain 3 in RNA binding motif protein 12 Descriptor: RNA-binding protein 12 Authors: Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-05-19 Release date: 2005-11-19 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: solution structure of RNA binding domain 3 in RNA binding motif protein 12 To be Published
2CQG	Solution structure of the RNA binding domain of TAR DNA-binding protein-43 Descriptor: TAR DNA-binding protein-43 Authors: Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-05-20 Release date: 2005-11-20 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of the RNA binding domain of TAR DNA-binding protein-43 To be Published
4WSB	Bat Influenza A polymerase with bound vRNA promoter Descriptor: Influenza A polymerase vRNA promoter 3' end, Influenza A polymerase vRNA promoter 5' end, PHOSPHATE ION, ... Authors: Cusack, S, Pflug, A, Guilligay, D, Reich, S. Deposit date: 2014-10-26 Release date: 2014-11-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structural insight into cap-snatching and RNA synthesis by influenza polymerase. Nature, 516, 2014

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