9FMW
 
 | | Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6 | | Descriptor: | Fab of neutralizing mAb K501SP6 heavy chain, Fab of neutralizing mAb K501SP6 light chain, Spike glycoprotein,Fibritin | | Authors: | Bjoernsson, K.H, Walker, M.R, Raghavan, S.S.R, Ward, A.B, Barfod, L.K. | | Deposit date: | 2024-06-07 | | Release date: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6
To Be Published
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6P4O
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6ZOU
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB333 | | Descriptor: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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6PDN
 | | Human PIM1 bound to benzothiophene inhibitor 292 | | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human PIM1
To Be Published
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6S7Q
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9FMP
 | | Crystal structure of phosphorylated C. merolae LAMMER-like dual specificity kinase (CmLIK) kinase domain in complex with adenosine | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, LAMMER-like dual specificity kinase | | Authors: | Dimos-Roehl, B, Haltenhof, T, Kotte, A, Heyd, F, Loll, B. | | Deposit date: | 2024-06-06 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of C. merolae LAMMER-like dual specificity kinase CmLIK kinase domain
to be published
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6ZP6
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB334 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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6PHB
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7R4Q
 | | The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ... | | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | | Deposit date: | 2022-02-09 | | Release date: | 2022-06-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
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6FO5
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
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7R4R
 | | The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ... | | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | | Deposit date: | 2022-02-09 | | Release date: | 2022-06-08 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
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9FOI
 | | Structure of human KCTD1 | | Descriptor: | 1,2-ETHANEDIOL, BTB/POZ domain-containing protein KCTD1, IODIDE ION, ... | | Authors: | Pinkas, D.M, Richardson, W, Bufton, J.C, Hunt, A.E, Manning, C.E, Shrestha, L, Borkowska, O, Pike, A.C.W, Burgess-Brown, N.A, Bullock, A.N. | | Deposit date: | 2024-06-11 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | A BTB extension and ion-binding domain contribute to the pentameric structure and TFAP2A binding of KCTD1.
Structure, 32, 2024
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4XDQ
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4XEW
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-12-25 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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8D5D
 | | Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-arginine | | Descriptor: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE, ... | | Authors: | Phillips, R.S, Nguyen Hoang, K.N. | | Deposit date: | 2022-06-04 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
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4XGZ
 | | Crystal structure of human paxillin LD2 motif in complex with Fab fragment | | Descriptor: | 1,2-ETHANEDIOL, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ... | | Authors: | Nocula-Lugowska, M, Lugowski, M, Salgia, R, Kossiakoff, A.A. | | Deposit date: | 2015-01-04 | | Release date: | 2015-07-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineering Synthetic Antibody Inhibitors Specific for LD2 or LD4 Motifs of Paxillin.
J.Mol.Biol., 427, 2015
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7ZLW
 | | NME1 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-04-15 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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8WRZ
 | | Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-02-28 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
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4XI8
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5LMT
 | | Structure of bacterial 30S-IF1-IF3-mRNA-tRNA translation pre-initiation complex(state-3) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Hussain, T, Llacer, J.L, Wimberly, B.T, Ramakrishnan, V. | | Deposit date: | 2016-08-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Large-Scale Movements of IF3 and tRNA during Bacterial Translation Initiation.
Cell, 167, 2016
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4QFU
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8W8F
 | | human co-transcriptional RNA capping enzyme RNGTT-CMTR1 | | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, DNA (36-MER), DNA (45-MER), ... | | Authors: | Li, Y, Wang, Q, Xu, Y, Li, Z. | | Deposit date: | 2023-09-02 | | Release date: | 2024-04-10 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of co-transcriptional RNA capping enzymes on paused transcription complex.
Nat Commun, 15, 2024
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4I3Y
 | | Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex | | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | Authors: | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | | Deposit date: | 2012-11-26 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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5GN6
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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5IF7
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