8U0Q
 
 | | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
|
|
7TFA
 | | P. polymyxa GS(12)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.07 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
|
|
7TF6
 | | S. aureus GS(12)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
|
|
6PZ8
 | | MERS S0 trimer in complex with variable domain of antibody G2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G2 heavy chain, ... | | Authors: | Bowman, C.A, Pallesen, J, Ward, A.B. | | Deposit date: | 2019-07-31 | | Release date: | 2019-10-09 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.19 Å) | | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
|
|
7TDV
 | |
7SRV
 | | Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Webb, C.T, McGowan, S. | | Deposit date: | 2021-11-08 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
|
|
7TFC
 | | B. subtilis GS(14)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (1.96 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
|
|
8RM5
 | | Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2024-01-05 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
|
|
7T3M
 | | SARS-CoV-2 S (Spike Glycoprotein) D614G with Three (3) RBDs Up, Bound to Antibody 2-7 scFv, composite map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2-7 scFv, ... | | Authors: | Byrne, P.O, McLellan, J.S. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern.
Nat Commun, 13, 2022
|
|
7SNQ
 | |
6Q1N
 | | Glucocerebrosidase in complex with pharmacological chaperone IMX8 | | Descriptor: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.526 Å) | | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models.
To Be Published
|
|
6GEV
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-04-27 | | Release date: | 2019-01-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
|
|
6Q2A
 | |
7ZZQ
 | |
6Q6B
 | | Structure of the copper storage protein, Ccsp, from Streptomyces lividans loaded with 10 copper equivalents | | Descriptor: | COPPER (I) ION, COPPER (II) ION, Cytosolic copper storage protein | | Authors: | Straw, M.L, Hough, M.A, Worrall, J.A.R. | | Deposit date: | 2018-12-10 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
|
|
6Q6K
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
|
|
8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | Descriptor: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2024-02-01 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
|
|
6Q4N
 | | Fusidic acid bound AcrB_V340A | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPin, DECANE, ... | | Authors: | Tam, H.K, Pos, K.M. | | Deposit date: | 2018-12-06 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
|
|
8R9S
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
8R9W
 | |
7T1J
 | | Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57 | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D. | | Deposit date: | 2021-12-02 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
|
|
6Q98
 | |
6QC2
 | | Ovine respiratory supercomplex I+III2 open class 2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | | Authors: | Letts, J.A, Sazanov, L.A. | | Deposit date: | 2018-12-26 | | Release date: | 2019-08-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
|
|
6Q8Y
 | | Cryo-EM structure of the mRNA translating and degrading yeast 80S ribosome-Xrn1 nuclease complex | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Tesina, P, Heckel, E, Cheng, J, Buschauer, R, Kater, L, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2018-12-16 | | Release date: | 2019-03-13 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the 80S ribosome-Xrn1 nuclease complex.
Nat.Struct.Mol.Biol., 26, 2019
|
|
7ZYV
 | | Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.13 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, ... | | Authors: | Sarewicz, M, Szwalec, M, Pintscher, S, Indyka, P, Rawski, M, Pietras, R, Mielecki, B, Koziej, L, Jaciuk, M, Glatt, S, Osyczka, A. | | Deposit date: | 2022-05-25 | | Release date: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.13 Å) | | Cite: | High-resolution cryo-EM structures of plant cytochrome b 6 f at work.
Sci Adv, 9, 2023
|
|
