8E2S
 
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6OTB
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5MTF
 | | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | | Deposit date: | 2017-01-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
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6Y6E
 | | drosophila Unr CSD456 | | Descriptor: | ETHYL MERCURY ION, Upstream of N-ras, isoform A | | Authors: | Hollmann, N.M, Jagtap, P.K.A, Hennig, J. | | Deposit date: | 2020-02-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Pseudo-RNA-Binding Domains Mediate RNA Structure Specificity in Upstream of N-Ras.
Cell Rep, 32, 2020
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6RNY
 | | PFV intasome - nucleosome strand transfer complex | | Descriptor: | DNA (108-MER), DNA (128-MER), DNA (33-MER), ... | | Authors: | Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A. | | Deposit date: | 2019-05-09 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
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5XSK
 | | Crystal structure of PWWP-DNA complex for human hepatoma-derived growth factor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*TP*GP*GP*TP*CP*TP*TP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*AP*AP*GP*AP*CP*CP*A)-3'), ... | | Authors: | Chen, L.Y, Huang, Y.C, Hsieh, Y.C, Lin, P.J, Chen, C.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure of PWWP-DNA complex at 2.84 Angstroms resolution
To Be Published
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5MVY
 | | Thin Filament at low calcium concentration | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | Authors: | Paul, D.M, Squire, J.M, Morris, E.P. | | Deposit date: | 2017-01-17 | | Release date: | 2018-02-14 | | Last modified: | 2018-10-24 | | Method: | ELECTRON MICROSCOPY (28.4 Å) | | Cite: | Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism.
J. Struct. Biol., 197, 2017
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7M5W
 | | Crystal structure of the HMG-C1 domain of human capicua bound to DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*TP*TP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*AP*AP*AP*GP*C)-3'), ... | | Authors: | Webb, J.P, Liew, J.J.M, Gnann, A.D, Dowling, D.P. | | Deposit date: | 2021-03-25 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular basis of DNA recognition by the HMG-box-C1 module of Capicua
Biorxiv, 2022
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6IQ4
 | | Nucleosome core particle cross-linked with a hetero-binuclear molecule possessing RAPTA and gold(I) 4-(diphenylphosphino)benzoic acid groups. | | Descriptor: | 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ... | | Authors: | DeFalco, L, Batchelor, L.K, Adhireksan, Z, Dyson, P.J, Davey, C.A. | | Deposit date: | 2018-11-06 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crosslinking Allosteric Sites on the Nucleosome.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5MW7
 | | Human Jagged2 C2-EGF3 | | Descriptor: | Protein jagged-2, alpha-L-fucopyranose | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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5MWB
 | | Human Notch-2 EGF11-13 | | Descriptor: | CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ... | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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8GHR
 | | Structure of human ENPP1 in complex with variable heavy domain VH27.2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Carozza, J.A, Wang, H, Solomon, P.E, Wells, J.A, Li, L. | | Deposit date: | 2023-03-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Discovery of VH domains that allosterically inhibit ENPP1.
Nat.Chem.Biol., 20, 2024
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6YHN
 | | Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ... | | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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7UCR
 | | Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA | | Descriptor: | SULFATE ION, Sarcin-Ricin loop RNA | | Authors: | Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L. | | Deposit date: | 2022-03-17 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION | | Cite: | Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res., 50, 2022
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8AS3
 | | Structure of arrestin2 in complex with 6P CCR5 phosphopeptide and Fab30 | | Descriptor: | Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ... | | Authors: | Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S. | | Deposit date: | 2022-08-18 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
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5MW5
 | | Human Jagged2 C2-EGF2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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6P3H
 | | Crystal structure of LigU(K66M) bound to substrate | | Descriptor: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION | | Authors: | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | | Deposit date: | 2019-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
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6ENF
 | | Cryo-EM structure of a polyproline-stalled ribosome in the absence of EF-P | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Huter, P, Arenz, S, Wilson, D.N. | | Deposit date: | 2017-10-04 | | Release date: | 2017-11-22 | | Last modified: | 2018-01-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis for Polyproline-Mediated Ribosome Stalling and Rescue by the Translation Elongation Factor EF-P.
Mol. Cell, 68, 2017
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7MLK
 | | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | | Descriptor: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity
To Be Published
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7UGO
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6S4A
 | | Structure of human MTHFD2 in complex with TH9028 | | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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5H0T
 | | Crystal structure of proliferating cell nuclear antigen from Leishmania donovani at 2.73 Angstrom resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, Proliferating cell nuclear antigen | | Authors: | Singh, P.K, Yadav, S.P, Sharma, P.S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-10-06 | | Release date: | 2016-11-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure and binding studies of proliferating cell nuclear antigen from Leishmania donovani.
Biochim. Biophys. Acta, 1865, 2017
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6I47
 | | Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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7UGQ
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