PDB: 92137 resultsInfo pagesStatus searchChemie searchBIRD

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9EUE	The FK1 domain of FKBP51 in complex with SAFit-analog 23a Descriptor: (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
9EUA	The FK1 domain of FKBP51 in complex with SAFit-analog 23d Descriptor: (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
1EZ9	STRUCTURE OF MALTOTETRAITOL BOUND TO OPEN-FORM MALTODEXTRIN BINDING PROTEIN IN P1 CRYSTAL FORM Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-D-glucose Authors: Duan, X, Quiocho, F.A. Deposit date: 2000-05-10 Release date: 2002-01-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural evidence for a dominant role of nonpolar interactions in the binding of a transport/chemosensory receptor to its highly polar ligands. Biochemistry, 41, 2002
9EUD	The FK1 domain of FKBP51 in complex with SAFit-analog 23c Descriptor: (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.022 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
9AXG	Human saposin B in the presence of globotriaosylceramide-NBD Descriptor: MALONATE ION, Saposin-B Authors: Sawyer, T.K, Garman, S.C. Deposit date: 2024-03-06 Release date: 2024-03-13 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (2.68 Å) Cite: Human Saposin B Ligand Binding and Presentation to alpha-Galactosidase A. Biorxiv, 2024
8USQ	Structural and biochemical investigations of a HEAT-repeat protein involved in the cytosolic iron-sulfur cluster assembly pathway Descriptor: DNA repair/transcription protein MET18/MMS19 Authors: Vasquez, S, Drennan, C.L. Deposit date: 2023-10-29 Release date: 2023-12-27 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (12.77 Å) Cite: Structural and biochemical investigations of a HEAT-repeat protein involved in the cytosolic iron-sulfur cluster assembly pathway. Commun Biol, 6, 2023
9EU6	The FK1 domain of FKBP51 in complex with SAFit-analog 23j Descriptor: (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.54 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
9EUB	The FK1 domain of FKBP51 in complex with SAFit-analog 24e Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
8WSS	Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... Authors: Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. Deposit date: 2023-10-17 Release date: 2024-06-19 Last modified: 2024-06-26 Method: ELECTRON MICROSCOPY (3.01 Å) Cite: Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors. Cell Discov, 10, 2024
8WW2	GPR3/Gs complex Descriptor: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: He, Y, Xiong, Y. Deposit date: 2023-10-24 Release date: 2024-02-14 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (2.79 Å) Cite: Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
9EU8	The FK1 domain of FKBP51 in complex with SAFit-analog 15h Descriptor: (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.3 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
8TOW	Structure of a mutated photosystem II complex reveals perturbation of the oxygen-evolving complex Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... Authors: Flesher, D.A, Liu, J, Wang, J, Gisriel, C.J, Yang, K.R, Batista, V.S, Debus, R.J, Brudvig, G.W. Deposit date: 2023-08-04 Release date: 2024-06-19 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (2.14 Å) Cite: Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels. J.Biol.Chem., 300, 2024
9AVS	Human alpha-galactosidase A in complex with saposin B Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... Authors: Sawyer, T.K, Garman, S.C. Deposit date: 2024-03-04 Release date: 2024-04-17 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (3.53 Å) Cite: Human Saposin B Ligand Binding and Presentation to alpha-Galactosidase A. Biorxiv, 2024
8WRB	Lysophosphatidylserine receptor GPR34-Gi complex Descriptor: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Gong, W, Liu, G, Li, X, Wang, Y, Zhang, X. Deposit date: 2023-10-13 Release date: 2023-11-08 Last modified: 2023-12-20 Method: ELECTRON MICROSCOPY (2.91 Å) Cite: Structural basis for ligand recognition and signaling of the lysophosphatidylserine receptors GPR34 and GPR174. Plos Biol., 21, 2023
9EU7	The FK1 domain of FKBP51 in complex with SAFit-analog 15b Descriptor: (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.21 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
6YE0	E.coli's Putrescine receptor PotF complexed with Putrescine Descriptor: (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... Authors: Shanmugaratnam, S, Kroeger, P, Hocker, B. Deposit date: 2020-03-23 Release date: 2021-01-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.63 Å) Cite: A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
7BU0	Crystal structure of a OTU deubiquitinase in complex with Ub-PA Descriptor: Polyubiquitin-B, Uncharacterized protein, prop-2-en-1-amine Authors: Ouyang, S.Y, Zhen, X.K. Deposit date: 2020-04-03 Release date: 2020-11-18 Last modified: 2023-04-05 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Interplay between bacterial deubiquitinase and ubiquitin E3 ligase regulates ubiquitin dynamics on Legionella phagosomes. Elife, 9, 2020
9EUC	The FK1 domain of FKBP51 in complex with SAFit-analog 23b Descriptor: (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Meyners, C, Buffa, V, Hausch, F. Deposit date: 2024-03-27 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.4 Å) Cite: 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
6YEC	E.coli's Putrescine receptor PotF complexed with Spermine Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Shanmugaratnam, S, Kroeger, P, Hocker, B. Deposit date: 2020-03-24 Release date: 2021-01-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.09 Å) Cite: A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
4BDQ	Crystal structure of the GluK2 R775A LBD dimer in complex with glutamate Descriptor: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... Authors: Nayeem, N, Mayans, O, Green, T. Deposit date: 2012-10-05 Release date: 2013-04-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
2WGU	Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid Descriptor: 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION Authors: Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. Deposit date: 2009-04-27 Release date: 2009-11-24 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis. J.Med.Chem., 52, 2009
6IK6	Crystal structure of Tomato beta-galactosidase (TBG) 4 with beta-1,4-galactobiose Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... Authors: Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. Deposit date: 2018-10-15 Release date: 2018-11-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.791 Å) Cite: Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation. Planta, 252, 2020
4BDN	Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with glutamate Descriptor: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... Authors: Nayeem, N, Mayans, O, Green, T. Deposit date: 2012-10-05 Release date: 2013-04-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
7OJ9	NMR solution structure of SNX9 SH3 - EEEV nsP3 peptide complex Descriptor: EEEV nsP3 peptide, Sorting nexin-9 Authors: Tossavainen, H, Permi, P. Deposit date: 2021-05-14 Release date: 2022-04-13 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs. Structure, 30, 2022
2VY7	The 627-domain from influenza A virus polymerase PB2 subunit Descriptor: POLYMERASE BASIC PROTEIN 2 Authors: Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. Deposit date: 2008-07-18 Release date: 2008-09-09 Last modified: 2012-06-06 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit Plos Pathog., 4, 2008

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