6N3H
| Crystal structure of Kelch domain of the human NS1 binding protein | Descriptor: | Influenza virus NS1A-binding protein | Authors: | Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M. | Deposit date: | 2018-11-15 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6OZY
| Wild type GapR crystal structure 2 from C. crescentus | Descriptor: | CADMIUM ION, UPF0335 protein CC_3319 | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | Deposit date: | 2019-05-16 | Release date: | 2019-11-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.014 Å) | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA. Sci Rep, 9, 2019
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6P0R
| Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor | Descriptor: | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-17 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor to be published
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8CE3
| Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with 3D fragment 2548 | Descriptor: | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Gilio, A.K, Darby, J.F, Wu, L, Davies, G.J. | Deposit date: | 2023-02-01 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Modular 3-D Fragment Collection: Design, Synthesis and Screening To Be Published
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7OC7
| LasB, alpha-alkyl-N-aryl mercaptoacetamide | Descriptor: | (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2021-04-26 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors. Angew.Chem.Int.Ed.Engl., 61, 2022
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6N35
| Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement | Descriptor: | BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ... | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-11-14 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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6N42
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8F5G
| NusG-RNA complex | Descriptor: | DI(HYDROXYETHYL)ETHER, RNA, Transcription termination/antitermination protein NusG | Authors: | Elghondakly, A.T, Ferre-D'Amare, A.R. | Deposit date: | 2022-11-14 | Release date: | 2023-11-22 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Major-groove sequence-specific RNA recognition by LoaP, a paralog of transcription elongation factor NusG. Structure, 2024
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6PH4
| Full length LOV-PAS-HK construct from the LOV-HK sensory protein from Brucella abortus (light-adapted, construct 15-489) | Descriptor: | Blue-light-activated histidine kinase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S. | Deposit date: | 2019-06-25 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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7QCR
| MLLT4/Afadin PDZ domain in complex with the C-terminal peptide from protein E of SARS-CoV-2 | Descriptor: | Afadin, Envelope small membrane protein, SULFATE ION | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | Deposit date: | 2021-11-25 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins. Front Microbiol, 13, 2022
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6MVK
| HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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7OFZ
| Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFW
| Nontypeable Haemophillus influenzae SapA in complex with heme | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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6PNR
| A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | Descriptor: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | Deposit date: | 2019-07-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ To Be Published
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7BHP
| Cryo-EM structure of the human Ebp1 - 80S ribosome | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Desogus, J, Bhaskar, V, Chao, J.A. | Deposit date: | 2021-01-11 | Release date: | 2021-02-03 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Dynamic association of human Ebp1 with the ribosome. Rna, 27, 2021
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6PPX
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6YP7
| PSII-LHCII C2S2 supercomplex from Pisum sativum grown in high light conditions | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Grinzato, A, Albanese, P, Zanotti, G, Pagliano, C. | Deposit date: | 2020-04-15 | Release date: | 2020-11-25 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | High-Light versus Low-Light: Effects on Paired Photosystem II Supercomplex Structural Rearrangement in Pea Plants. Int J Mol Sci, 21, 2020
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8CMZ
| Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A To Be Published
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8CNB
| Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A To Be Published
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6MRD
| ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | Deposit date: | 2018-10-12 | Release date: | 2020-04-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin. Nat Commun, 11, 2020
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7NY6
| Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone macroH2A1.1 | Authors: | Knobloch, G, Guberovic, I, Basquin, J, Buschbeck, M, Ladurner, A.G. | Deposit date: | 2021-03-21 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Evolution of a histone variant involved in compartmental regulation of NAD metabolism. Nat.Struct.Mol.Biol., 28, 2021
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6P7I
| Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | Descriptor: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-05 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor J.Med.Chem., 63, 2020
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7QT7
| Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7O56
| X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to an interferon-stimulated response element solved by Phosphorus and Sulphur SAD methods | Descriptor: | DNA (5'-D(P*AP*AP*TP*AP*AP*AP*AP*GP*AP*AP*AP*CP*CP*GP*AP*AP*AP*GP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*AP*CP*TP*TP*TP*CP*GP*GP*TP*TP*TP*CP*TP*TP*TP*TP*AP*T)-3'), Interferon regulatory factor 4 | Authors: | El Omari, K, Agnarelli, A, Duman, R, Wagner, A, Mancini, E.J. | Deposit date: | 2021-04-07 | Release date: | 2021-05-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Phosphorus and sulfur SAD phasing of the nucleic acid-bound DNA-binding domain of interferon regulatory factor 4. Acta Crystallogr.,Sect.F, 77, 2021
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6PBR
| Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION | Authors: | Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q. | Deposit date: | 2019-06-14 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant. Acta Crystallogr.,Sect.F, 75, 2019
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