7MOQ
 
 | | The structure of the Tetrahymena thermophila outer dynein arm on doublet microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Docking complex 1 protein, ... | | Authors: | Kubo, S, Yang, S.K, Ichikawa, M, Bui, K.H. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Remodeling and activation mechanisms of outer arm dyneins revealed by cryo-EM.
Embo Rep., 22, 2021
|
|
6CCK
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
|
|
6CP7
 | | Monomer yeast ATP synthase Fo reconstituted in nanodisc generated from masked refinement. | | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | | Deposit date: | 2018-03-13 | | Release date: | 2018-04-11 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
|
|
7R5J
 | | Human nuclear pore complex (dilated) | | Descriptor: | Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ... | | Authors: | Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M. | | Deposit date: | 2022-02-10 | | Release date: | 2022-09-21 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (50 Å) | | Cite: | AI-based structure prediction empowers integrative structural analysis of human nuclear pores
Science, 376, 2022
|
|
5NRZ
 | | Cys-Gly dipeptidase GliJ in complex with Mn2+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
|
|
6TVN
 | | Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase | | Descriptor: | 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
|
|
6GBG
 | | Helicobacter pylori adhesin HopQ type I bound to the N-terminal domain of human CEACAM1 | | Descriptor: | BROMIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 1, Outer membrane protein | | Authors: | Moonens, K, Kruse, T, Gerhard, M, Remaut, H. | | Deposit date: | 2018-04-13 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Helicobacter pyloriadhesin HopQ disruptstransdimerization in human CEACAMs.
EMBO J., 37, 2018
|
|
8PBF
 | | Galectin-3C in complex with a triazolesulfane derivative | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, THIOCYANATE ION | | Authors: | Kumar, R, Mahanti, M. | | Deposit date: | 2023-06-09 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
|
|
6TW4
 | | HumRadA22F in complex with compound 6 | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | | Authors: | Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
|
|
5NYW
 | | Anbu (ancestral beta-subunit) from Yersinia bercovieri | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | | Authors: | Piasecka, A, Czapinska, H, Vielberg, M, Szczepanowski, R.H, Reed, S, Groll, M, Bochtler, M. | | Deposit date: | 2017-05-12 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers.
J. Mol. Biol., 430, 2018
|
|
5UC4
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
|
|
2PSM
 | | Crystal structure of Interleukin 15 in complex with Interleukin 15 receptor alpha | | Descriptor: | BENZAMIDINE, Interleukin-15, Interleukin-15 receptor alpha chain | | Authors: | Olsen, S.K, Murayama, K, Kishishita, S, Kukimoto-Niino, M, Terada, T, Shirouzu, M, Ota, N, Kanagawa, O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-07 | | Release date: | 2007-11-06 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of the Interleukin-15{middle dot}Interleukin-15 Receptor {alpha} Complex: INSIGHTS INTO TRANS AND CIS PRESENTATION
J.Biol.Chem., 282, 2007
|
|
7BS8
 | | Bovine Pancreatic Trypsin with Benzamidine (Cryo) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
|
|
8PC2
 | | SelDeg51 in complex with FKBP51FK1 domain and pVHL:EloB:EloC | | Descriptor: | Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | | Authors: | Meyners, C, Walz, M, Geiger, T.M, Hausch, F. | | Deposit date: | 2023-06-09 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8P29
 | | TEAD2 in complex with an inhibitor | | Descriptor: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2023-05-15 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
|
|
5K44
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate. | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-05-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
|
|
8P81
 | | Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine | | Authors: | Anand, K, Schmitz, M, Geyer, M. | | Deposit date: | 2023-05-31 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The reversible inhibitor SR-4835 binds Cdk12/cyclin K in a noncanonical G-loop conformation.
J.Biol.Chem., 300, 2023
|
|
2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | Descriptor: | Aryl esterase, SULFATE ION | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
|
|
7QZP
 | | Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii | | Descriptor: | Hypothetical RNA binding protein from Acinetobacter baumannii | | Authors: | Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii .
Biomolecules, 12, 2022
|
|
6TW9
 | | HumRadA22F in complex with CAM833 | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
|
|
7BS2
 | | Bovine Pancreatic Trypsin with serotonin (Room Temperature) | | Descriptor: | CALCIUM ION, Cationic trypsin, SEROTONIN, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
|
|
7LQV
 | | Cryo-EM structure of NTD-directed neutralizing antibody 4-8 Fab in complex with SARS-CoV-2 S2P spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-8 Heavy Chain, 4-8 Light chain, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2021-02-15 | | Release date: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Potent SARS-CoV-2 Neutralizing Antibodies Directed Against Spike N-Terminal Domain Target a Single Supersite
Cell Host Microbe, 2021
|
|
5E4K
 | | Structure of ligand binding region of uPARAP at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, C-type mannose receptor 2, ... | | Authors: | Yuan, C, Huang, M. | | Deposit date: | 2015-10-06 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
|
|
3KWJ
 | | Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | | Descriptor: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form | | Authors: | Hennig, M, Stihle, M, Thoma, R. | | Deposit date: | 2009-12-01 | | Release date: | 2010-09-15 | | Last modified: | 2020-09-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
5K41
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose. | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, ... | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-05-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
|
|
