6VIF
 
 | | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | | Descriptor: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Cato, M.L, Ortlund, E.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
8OWF
 | | Clostridium perfringens chitinase CP4_3455 with chitosan | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ... | | Authors: | Bloch, Y, Savvides, S.N. | | Deposit date: | 2023-04-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
|
|
8OVR
 | |
8PXU
 | |
8PXT
 | |
8PXV
 | | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | | Descriptor: | Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ... | | Authors: | Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2023-07-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood
To Be Published
|
|
8Q7S
 | | Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01 | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ... | | Authors: | Guttler, T, Aksu, M, Gorlich, D. | | Deposit date: | 2023-08-16 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
|
|
8RZD
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 | | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid, ... | | Authors: | Kalnins, G. | | Deposit date: | 2024-02-12 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9
To Be Published
|
|
8RZC
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 | | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-imidazol-1-yl-benzoic acid, ... | | Authors: | Kalnins, G. | | Deposit date: | 2024-02-12 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11
To Be Published
|
|
8RZE
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 | | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid, ... | | Authors: | Kalnins, G. | | Deposit date: | 2024-02-12 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10
To Be Published
|
|
8QU4
 | | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 2024
|
|
8QU2
 | | NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 2024
|
|
6T6H
 | | Apo structure of the Bottromycin epimerase BotH | | Descriptor: | BotH, SODIUM ION, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2019-10-18 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
|
|
6RPQ
 | | Crystal structure of PhoCDC21-1 intein | | Descriptor: | Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein | | Authors: | Beyer, H.M, Mikula, K.M, Iwai, H. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
|
|
5C6E
 | | Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state | | Descriptor: | CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C. | | Deposit date: | 2015-06-22 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
5EBJ
 | | Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail | | Descriptor: | photoswitching chromogenic protein | | Authors: | Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M. | | Deposit date: | 2015-10-19 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | Cite: | Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
|
|
6T6X
 | | Structure of the Bottromycin epimerase BotH in complex with substrate | | Descriptor: | (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2019-10-20 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
|
|
6T6Z
 | |
6T6Y
 | |
6T70
 | |
8TUA
 | | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | | Authors: | Cash, J.N, Tesmer, J.J.G. | | Deposit date: | 2023-08-15 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
|
|
2I32
 | |
6PQ7
 | |
7ZFR
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
|
|
7ZIE
 | |
