6FMK
| pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4) | Descriptor: | Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ... | Authors: | Soares, P, Lucas, X, Ciulli, A. | Deposit date: | 2018-01-31 | Release date: | 2018-04-11 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands. Bioorg. Med. Chem., 26, 2018
|
|
6D31
| Structure of human Usb1 with adenosine 5'-monophosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2018-04-14 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1. Nucleic Acids Res., 46, 2018
|
|
6JIO
| Human LXR-beta in complex with a ligand | Descriptor: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-02-22 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay. Eur.J.Med.Chem., 178, 2019
|
|
7S6Y
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7AZ7
| DNA polymerase sliding clamp from Escherichia coli with peptide 37 bound | Descriptor: | Beta sliding clamp, FORMIC ACID, PENTAETHYLENE GLYCOL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
|
|
6CTA
| Structure of the human cGAS-DNA complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), ... | Authors: | Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-03-22 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.779 Å) | Cite: | Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance. Cell, 174, 2018
|
|
7AZ6
| DNA polymerase sliding clamp from Escherichia coli with peptide 36 bound | Descriptor: | ACETATE ION, Beta sliding clamp, CHLORIDE ION, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
|
|
6PR9
| S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H) | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Bourne, C.R, Thomas, L.M. | Deposit date: | 2019-07-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200, 2020
|
|
6FNY
| CRYSTAL STRUCTURE OF A CHOLINE SULFATASE FROM SINORHIZOBIUM MELLILOTI | Descriptor: | CALCIUM ION, Choline-sulfatase | Authors: | Valkov, E, Van Loo, B, Hollfelder, F, Hyvonen, M. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural and Mechanistic Analysis of the Choline Sulfatase from Sinorhizobium melliloti: A Class I Sulfatase Specific for an Alkyl Sulfate Ester. J. Mol. Biol., 430, 2018
|
|
7S74
| |
7ZE9
| Structure of an AA16 LPMO-like protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | Authors: | Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L. | Deposit date: | 2022-03-30 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.646 Å) | Cite: | AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila. Acs Catalysis, 13, 2023
|
|
6FOS
| Cyanidioschyzon merolae photosystem I | Descriptor: | BETA-CAROTENE, CHLOROPHYLL A, IRON/SULFUR CLUSTER, ... | Authors: | Nelson, N, Hippler, M, Antoshvili, M, Caspy, I. | Deposit date: | 2018-02-08 | Release date: | 2018-04-11 | Last modified: | 2019-02-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure and function of photosystem I in Cyanidioschyzon merolae. Photosyn. Res., 139, 2019
|
|
7S6Z
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7ATR
| |
6JS8
| Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-04-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
7ZCD
| |
7AP5
| Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome. | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | Deposit date: | 2020-10-15 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.131 Å) | Cite: | The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome To Be Published
|
|
6CTZ
| Structure of the GDP and kanamycin complex of APH(2")-IIia | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural basis for the diversity of the mechanism of nucleotide hydrolysis by the aminoglycoside-2''-phosphotransferases Acta Crystallogr.,Sect.D, 75, 2019
|
|
7S73
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | Descriptor: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
6FX1
| Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, ... | Authors: | Cabanettes, A, Varrot, A. | Deposit date: | 2018-03-08 | Release date: | 2018-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6FQV
| 2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ... | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | Deposit date: | 2018-02-14 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance. Nucleic Acids Res., 46, 2018
|
|
7B0E
| Crystal structure of SmbA loop deletion mutant | Descriptor: | 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, ... | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structure of loop deletion mutant SmbA bound to a monomeric c-di-GMP To Be Published
|
|
6CBD
| |
7S70
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7SJK
| Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus | Descriptor: | CALCIUM ION, Pls Plasmin sensitive surface protein | Authors: | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2021-10-18 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.208 Å) | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface. J.Biol.Chem., 299, 2023
|
|