6P6M
 
 | | HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir | | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
|
|
7Q5D
 | | Structure of EPCR in a non-canonical conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | | Authors: | Lopez-Sagaseta, J, Erausquin, E. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of EPCR in a non-canonical conformation
Biorxiv, 2021
|
|
6P6R
 | | HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir | | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
|
|
6V15
 | | immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, G08 TCR alpha chain, ... | | Authors: | Lim, J.J, Rossjohn, J. | | Deposit date: | 2019-11-19 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
|
|
8A5R
 | | Crystal structure of light-activated DNA-binding protein EL222 from Erythrobacter litoralis crystallized and measured in dark. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Koval, T, Chaudhari, A, Fuertes, G, Andersson, I, Dohnalek, J. | | Deposit date: | 2022-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | EL222 from Erythrobacter litoralis.
To Be Published
|
|
7VKK
 | | Crystal structure of D. melanogaster SAMTOR V66W/E67P mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine sensor upstream of mTORC1, SULFATE ION | | Authors: | Zhang, T, Ding, J. | | Deposit date: | 2021-09-30 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Molecular mechanism of S -adenosylmethionine sensing by SAMTOR in mTORC1 signaling.
Sci Adv, 8, 2022
|
|
8QZG
 | | 1,3 L,D-transpeptidase from Gluconobacter oxydans | | Descriptor: | CHLORIDE ION, SODIUM ION, YkuD domain-containing protein | | Authors: | ter Beek, J, Berntsson, R.P. | | Deposit date: | 2023-10-27 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria.
Nat Commun, 15, 2024
|
|
2IZZ
 | | Crystal structure of human pyrroline-5-carboxylate reductase | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1 | | Authors: | Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U. | | Deposit date: | 2006-07-31 | | Release date: | 2006-08-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Human Pyrroline-5-Carboxylate Reductase
To be Published
|
|
8SBS
 | |
6PEP
 | | Focussed refinement of InvGN0N1:SpaPQR:PrgIJ from the Salmonella SPI-1 injectisome needle complex | | Descriptor: | Protein InvG, Protein PrgH, Protein PrgI, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
|
|
7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, 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: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
2ZD2
 | |
6UYF
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | | Deposit date: | 2019-11-13 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
|
|
7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, 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: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
6VFP
 | | Crystal structure of human protocadherin 1 EC1-EC4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin-1, ... | | Authors: | Brasch, J, Harrison, O.J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
|
|
6VFU
 | | Crystal structure of human protocadherin 19 EC1-EC4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
|
|
8A5S
 | | Crystal structure of light-activated DNA-binding protein EL222 from Erythrobacter litoralis crystallized in dark, measured illuminated. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Koval, T, Chaudhari, A, Fuertes, G, Andersson, I, Dohnalek, J. | | Deposit date: | 2022-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | EL222 from Erythrobacter litoralis.
To Be Published
|
|
7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, 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: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
8QX9
 | | TDP-43 amyloid fibrils: Morphology-1a | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
|
|
8R12
 | | Structure of compound 8 bound to SARS-CoV-2 main protease | | Descriptor: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Mac Sweeney, A, Hazemann, J. | | Deposit date: | 2023-11-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
|
|
7VIL
 | |
8A33
 | |
8RCQ
 | | Structural flexibility of Nucleoprotein of the Toscana virus in the presence of a nanobody. | | Descriptor: | Nucleoprotein, VHH | | Authors: | Papageorgiou, N, Ferron, F, Coutard, B, Lichiere, J, Baklouti, A. | | Deposit date: | 2023-12-06 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8A37
 | |
7VKR
 | |
