8BGC
 
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
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8B0X
 | | Translating 70S ribosome in the unrotated state (P and E, tRNAs) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Fromm, S.A, O'Connor, K.M, Purdy, M, Bhatt, P.R, Loughran, G, Atkins, J.F, Jomaa, A, Mattei, S. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-30 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (1.55 Å) | | Cite: | The translating bacterial ribosome at 1.55 angstrom resolution generated by cryo-EM imaging services.
Nat Commun, 14, 2023
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8B3T
 | | Hen Egg White Lysozyme 4s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8B3U
 | | Hen Egg White Lysozyme 6s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8B3V
 | | Hen Egg White Lysozyme 8s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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6TJP
 | | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121 | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure.
Acta Crystallogr D Struct Biol, 77, 2021
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6TPK
 | | Crystal structure of the human oxytocin receptor | | Descriptor: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Waltenspuehl, Y, Schoeppe, J, Ehrenmann, J, Kummer, L, Plueckthun, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-08-05 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human oxytocin receptor.
Sci Adv, 6, 2020
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6TLC
 | | Unphosphorylated human STAT3 in complex with MS3-6 monobody | | Descriptor: | Monobody, Signal transducer and activator of transcription 3 | | Authors: | La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O. | | Deposit date: | 2019-12-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains.
Nat Commun, 11, 2020
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8B3L
 | | Hen Egg White Lysozyme 2s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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6ZCV
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6ZCW
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6TAV
 | | Crystal structure of endopeptidase-induced alpha2-macroglobulin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | | Authors: | Gomis-Ruth, F.X, Duquerroy, S, Trapani, S, Marrero, A, Goulas, T, Guevara, T, Andersen, G.A, Sottrup-Jensen, L, Navaza, J. | | Deposit date: | 2019-10-30 | | Release date: | 2021-05-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Cryo-EM structures shows the mechanistic basis of pan-peptidase inhibition by human alpha2-macroglobulin
Proc.Natl.Acad.Sci.USA, 2022
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8BVE
 | | MoeA2 from Corynebacterium glutamicum | | Descriptor: | CITRIC ACID, Molybdopterin molybdenumtransferase, SODIUM ION | | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.
Nat Microbiol, 8, 2023
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8BVF
 | | MoeA2 from Corynebacterium glutamicum in complex with FtsZ-CTD | | Descriptor: | Cell division protein FtsZ, Molybdopterin molybdenumtransferase, SODIUM ION, ... | | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.
Nat Microbiol, 8, 2023
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7NYQ
 | | Crystal structure of the Mei-P26 NHL domain | | Descriptor: | Meiotic P26, isoform C | | Authors: | Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S. | | Deposit date: | 2021-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26.
Life Sci Alliance, 5, 2022
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8UTM
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7DK1
 | | Crystal structure of Zinc bound SARS-CoV-2 main protease | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Sonkar, K.S, Panchariya, L, Kuila, S, Khan, W.A, Arockiasamy, A. | | Deposit date: | 2020-11-22 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Zinc 2+ ion inhibits SARS-CoV-2 main protease and viral replication in vitro.
Chem.Commun.(Camb.), 57, 2021
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6IBX
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6PU9
 | | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-17 | | Release date: | 2019-08-14 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Microbiol Resour Announc, 2025
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6PUA
 | | The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-18 | | Release date: | 2019-09-25 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Microbiol Resour Announc, 2025
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5HPW
 | | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, R.P, Singh, A, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-01-21 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination
To Be Published
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8WDV
 | | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by Ca2+-DEAE | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum.
Commun Biol, 7, 2024
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8WDU
 | | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by sucrose density | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum.
Commun Biol, 7, 2024
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6PWB
 | | Rigid body fitting of flagellin FlaB, and flagellar coiling proteins, FcpA and FcpB, into a 10 Angstrom structure of the asymmetric flagellar filament purified from Leptospira biflexa Patoc WT cells resolved via subtomogram averaging | | Descriptor: | Flagellar coiling protein A (FcpA), Flagellar coiling protein B (FcpB), Flagellin B1 (FlaB1) | | Authors: | Gibson, K.H, Sindelar, C.V, Trajtenberg, F, Buschiazzo, A, San Martin, F, Mechaly, A. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (9.83 Å) | | Cite: | An asymmetric sheath controls flagellar supercoiling and motility in the leptospira spirochete.
Elife, 9, 2020
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6HVJ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-10-11 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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