4TZA
 
 | |
8FC9
 | | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
|
|
4TWC
 | | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | | Descriptor: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ... | | Authors: | Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e.
Amino Acids, 43, 2012
|
|
4TWK
 | | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | | Deposit date: | 2014-06-30 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
|
|
7ZNS
 | |
7ME0
 | | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0 | | Descriptor: | Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | | Deposit date: | 2021-04-06 | | Release date: | 2021-04-14 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
|
|
7C0G
 | |
8CO1
 | | Type II Secretion System | | Descriptor: | IPT/TIG domain-containing protein, Lipoprotein, Probable type IV piliation system protein DR_0774 | | Authors: | Farci, D, Piano, D. | | Deposit date: | 2023-02-26 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structural characterization and functional insights into the type II secretion system of the poly-extremophile Deinococcus radiodurans.
J.Biol.Chem., 300, 2024
|
|
6WYO
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A | | Descriptor: | Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.30000281 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
7MFO
 | | X-ray structure of the L136 Aminotransferase from Acanthamoeba polyphaga mimivirus in the presence of TDP and PMP | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CHLORIDE ION, ... | | Authors: | Ferek, J.D, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-04-10 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
|
|
8FC8
 | | Cryo-EM structure of the human TRPV4 in complex with GSK1016790A | | Descriptor: | CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
|
|
8IF4
 | | Structure of human alpha-2/delta-1 without mirogabalin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Voltage-dependent calcium channel subunit alpha-2/delta-1 | | Authors: | Kozai, D, Numoto, N, Fujiyoshi, Y. | | Deposit date: | 2023-02-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
|
|
8IF3
 | | Structure of human alpha-2/delta-1 with mirogabalin | | Descriptor: | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kozai, D, Numoto, N, Fujiyoshi, Y. | | Deposit date: | 2023-02-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
|
|
6CBP
 | |
8IHP
 | | Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ... | | Authors: | Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of Semliki Forest virus in complex with its receptor VLDLR.
Cell, 186, 2023
|
|
6ZBO
 | | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ... | | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Chemmedchem, 16, 2021
|
|
8FCA
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate | | Descriptor: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
|
|
8P0L
 | | Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | | Authors: | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | | Deposit date: | 2023-05-10 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics.
Acs Catalysis, 13, 2023
|
|
6ZBN
 | | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Chemmedchem, 16, 2021
|
|
7ZQS
 | | Cryo-EM Structure of Human Transferrin Receptor 1 bound to DNA Aptamer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ... | | Authors: | Bansia, H, Wang, T, Gutierrez, D, des Georges, A. | | Deposit date: | 2022-05-02 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Discovery of a Transferrin Receptor 1-Binding Aptamer and Its Application in Cancer Cell Depletion for Adoptive T-Cell Therapy Manufacturing.
J.Am.Chem.Soc., 144, 2022
|
|
8F6C
 | | E. coli cytochrome bo3 ubiquinol oxidase dimer | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | | Authors: | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | | Deposit date: | 2022-11-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
|
|
6WKH
 | | Crystal structure of pentalenene synthase mutant F76W complexed with 12,13-difluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Pentalenene synthase | | Authors: | Prem Kumar, R, Matos, J.O, Oprian, D.D. | | Deposit date: | 2020-04-16 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Biochemistry, 59, 2020
|
|
6ZGP
 | | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
|
|
5HVF
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-i83) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Carboxypeptidase B2, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
|
|
8TC7
 | | Human asparaginyl-tRNA synthetase, apo form | | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
|
|
