5IZA
 
 | | Protein-protein interaction | | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-03-25 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
|
|
8V00
 | | AaegOR10 apo structure | | Descriptor: | Odorant receptor OR10, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
|
|
8V3D
 | | AgamOR28 structure bound to 2,4,5-trimethylthiazole | | Descriptor: | 2,4,5-trimethyl-1,3-thiazole, OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
|
|
5IW4
 | |
8BN6
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2022-11-12 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
|
|
5NHL
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
|
|
5CTY
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
4YMS
 | | Crystal structure of an amino acid ABC transporter | | Descriptor: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | | Authors: | Ge, J, Yu, J, Yang, M. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6VPP
 | | Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the nucleotide-free state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | | Authors: | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | | Deposit date: | 2020-02-04 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
|
|
4YMU
 | | Crystal structure of an amino acid ABC transporter complex with arginines and ATPs | | Descriptor: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | | Authors: | Ge, J, Yu, J, Yang, M. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
8TUW
 | |
8TUX
 | |
8TUH
 | | HLA B7:02 with RPIIRPATL | | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.200106 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
|
|
8TUM
 | |
5JHL
 | | Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
|
|
7NML
 | | Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide | | Descriptor: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, DIMETHYL SULFOXIDE, Galectin-1 | | Authors: | Grimm, C, Bechold, J, Seibel, J. | | Deposit date: | 2021-02-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide
To Be Published
|
|
8DD9
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
|
|
5YJ8
 | |
6VPO
 | | Cryo-EM structure of microtubule-bound KLP61F motor domain in the AMPPNP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | | Authors: | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | | Deposit date: | 2020-02-04 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
|
|
4YMW
 | | Crystal structure of an amino acid ABC transporter with histidines | | Descriptor: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | | Authors: | Ge, J, Yu, J, Yang, M. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5NHH
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
|
|
5NHO
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
|
|
5NHV
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
|
|
5NGU
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-20 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
|
|
6HCU
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
