PDB: 242500 resultsInfo pagesStatus searchChemie searchBIRD

---

7G10	Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES OC1=CC(=O)N(C=C1)Cc1ccc(cc1Oc1ccccc1)Cl with IC50=0.115 microM Descriptor: 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... Authors: Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. Deposit date: 2023-04-27 Release date: 2023-06-14 Last modified: 2025-08-13 Method: X-RAY DIFFRACTION (1.26 Å) Cite: A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands. Acta Crystallogr D Struct Biol, 81, 2025
5X3R	Crystal structure of the SmcR complexed with QStatin Descriptor: 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, LuxR family transcriptional regulator, SULFATE ION Authors: Jang, S.Y, Hwang, J, Kim, M.H. Deposit date: 2017-02-07 Release date: 2018-01-24 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: QStatin, a Selective Inhibitor of Quorum Sensing inVibrioSpecies MBio, 9, 2018
5AXU	Crystal Structure of Cypovirus Polyhedra R13A Mutant Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ... Authors: Abe, S, Ijiri, H, Negishi, H, Yamanaka, H, Sasaki, K, Hirata, K, Mori, H, Ueno, T. Deposit date: 2015-08-01 Release date: 2015-11-11 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Design of Enzyme-Encapsulated Protein Containers by In Vivo Crystal Engineering Adv. Mater. Weinheim, 27, 2015
1EN9	1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM. Descriptor: DNA (5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'), MAGNESIUM ION Authors: Chiu, T.K, Dickerson, R.E. Deposit date: 2000-03-20 Release date: 2000-09-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (0.985 Å) Cite: 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
5VQJ	Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community Descriptor: exo-beta-1,4-xylanase Authors: Mello, B.L, Polikarpov, I. Deposit date: 2017-05-09 Release date: 2018-03-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.761 Å) Cite: Targeted metatranscriptomics of compost-derived consortia reveals a GH11 exerting an unusual exo-1,4-beta-xylanase activity. Biotechnol Biofuels, 10, 2017
6DP1	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPF	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 40 mM Mn2+ and 200 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6P1D	Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor Descriptor: 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... Authors: Heppner, D.E, Eck, M.J. Deposit date: 2019-05-19 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
6SU2	Trypanosoma congolense pyruvate kinase in complex with citrate and glycerol Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, Pyruvate kinase Authors: Sterckx, Y.G.-J, Pinto Torres, J.E. Deposit date: 2019-09-12 Release date: 2020-03-04 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and kinetic characterization of Trypanosoma congolense pyruvate kinase. Mol.Biochem.Parasitol., 236, 2020
8QAX	Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, GOL and TRS Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... Authors: Witek, W, Ruszkowski, M. Deposit date: 2023-08-23 Release date: 2024-04-10 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
6DOC	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 240 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.496 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7WWI	SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ... Authors: Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. Deposit date: 2022-02-13 Release date: 2023-02-15 Last modified: 2025-06-25 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation To Be Published
6DOO	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 100 mM K+ for 120 s at 21 C (dataset 2) Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DP0	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2.5 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.451 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPJ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 80 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7Z8D	Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... Authors: Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Petrova, T, Meents, A, Fufina, T.Y, Vasilieva, L.G. Deposit date: 2022-03-17 Release date: 2023-03-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) To Be Published
3KFL	Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... Authors: Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) Deposit date: 2009-10-27 Release date: 2010-10-27 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate. Biochimie, 93, 2011
5Z55	NMR Solution Structure of the Kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1) Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1 Authors: Ma, X, Hu, K.F. Deposit date: 2018-01-17 Release date: 2018-05-16 Last modified: 2024-10-23 Method: SOLUTION NMR Cite: Backbone and side-chain chemical shift assignments of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1). Biomol NMR Assign, 12, 2018
9F8D	Crystal structure of human monoacylglycerol lipase in complex with compound 7i Descriptor: 1,2-ETHANEDIOL, 6-[4-(5-chloranyl-1~{H}-indol-3-yl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one, Monoglyceride lipase Authors: Kuhn, B, Ritter, M, Hornsperger, B, Bell, C, Kocer, B, Rombach, D, Richter, H, Grether, U, Gobbi, L, Kuratli, M, Collin, L, Benz, J. Deposit date: 2024-05-06 Release date: 2025-01-22 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Structure-Guided Discovery of cis -Hexahydro-pyrido-oxazinones as Reversible, Drug-like Monoacylglycerol Lipase Inhibitors. J.Med.Chem., 67, 2024
7EH1	Thermus thermophilus transcription initiation complex containing a template-strand purine at position TSS-2, GpG RNA primer, and CMPcPP Descriptor: 1,4-BUTANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (27-MER), ... Authors: Li, L, Zhang, Y. Deposit date: 2021-03-27 Release date: 2021-07-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Promoter-sequence determinants and structural basis of primer-dependent transcription initiation in Escherichia coli . Proc.Natl.Acad.Sci.USA, 118, 2021
7ZD0	Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Cd2+ ions Descriptor: 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ADENOSINE, ... Authors: Malecki, P.H, Gawel, M, Brzezinski, K. Deposit date: 2022-03-29 Release date: 2023-04-19 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.87 Å) Cite: A closer look at molecular mechanisms underlying inhibition of S -adenosyl-L-homocysteine hydrolase by transition metal cations. Chem.Commun.(Camb.), 60, 2024
6ZUS	Crystal structure of the effector Ecp11-1 from Fulvia fulva Descriptor: DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ... Authors: Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. Deposit date: 2020-07-23 Release date: 2021-08-04 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.62 Å) Cite: A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
8QAW	Medicago truncatula HISN5 (IGPD) in complex with MN, IMD, EDO, FMT, GOL and TRS Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... Authors: Witek, W, Ruszkowski, M. Deposit date: 2023-08-23 Release date: 2024-04-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
9BR7	Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid Descriptor: AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ... Authors: Wu, R, Lazarus, M.B. Deposit date: 2024-05-10 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1. Acs Chem.Biol., 19, 2024
6ZUQ	Crystal structure of the effector Ecp11-1 from Fulvia fulva Descriptor: Extracellular protein 11-1, GLYCEROL, ZINC ION Authors: Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. Deposit date: 2020-07-23 Release date: 2021-08-04 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022

<974975976977978979980981982983984985986987988989>