3TFS
| Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer | Descriptor: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | Deposit date: | 2011-08-16 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta. Chembiochem, 13, 2012
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4S10
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6NOG
| Poised-state Dot1L bound to the H2B-Ubiquitinated nucleosome | Descriptor: | 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... | Authors: | Worden, E.J, Hoffmann, N.A, Wolberger, C. | Deposit date: | 2019-01-16 | Release date: | 2019-02-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L. Cell, 176, 2019
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7OH7
| Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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4GAM
| Complex structure of Methane monooxygenase hydroxylase and regulatory subunit | Descriptor: | FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Lee, S.J, Lippard, S.J, Cho, U.-S. | Deposit date: | 2012-07-25 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Control of substrate access to the active site in methane monooxygenase. Nature, 494, 2013
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4GEK
| Crystal Structure of wild-type CmoA from E.coli | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, SULFATE ION, tRNA (cmo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bonanno, J.B, Bhosle, R, Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-08-02 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided discovery of the metabolite carboxy-SAM that modulates tRNA function Nature, 498, 2013
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7W79
| Heme exporter HrtBA in complex with Mn-AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative ABC transport system integral membrane protein, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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3UPZ
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6X5N
| Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6 | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | Authors: | Swain, M, Li, M, Woldawer, A, LeGrice, S.F.J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands. Nucleic Acids Res., 49, 2021
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3UQF
| c-SRC kinase domain in complex with BKI RM-1-89 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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7W78
| Heme exporter HrtBA in complex with Mg-AMPPNP | Descriptor: | ACETATE ION, DODECANE, GLYCEROL, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.884 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZSO
| human purine nucleoside phosphorylase in complex with JS-554 | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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4GJP
| Crystal structure of the TAL effector dHax3 bound to dsDNA containing repetitive methyl-CpG | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*(5CM)P*GP*TP*CP*TP*CP*T)-3'), Hax3, ... | Authors: | Yan, N, Deng, D, Yan, C.Y, Yin, P, Pan, X.J, Shi, Y.G. | Deposit date: | 2012-08-10 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a protein complex To be Published
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3UQG
| c-SRC kinase domain in complex with bumpless BKI analog UW1243 | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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5DD7
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7ZSL
| human purine nucleoside phosphorylase in complex with JS-196 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSM
| human purine nucleoside phosphorylase in complex with JS-375 | Descriptor: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSN
| human purine nucleoside phosphorylase in complex with JS-379 | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSP
| human purine nucleoside phosphorylase in complex with JS-555 | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-08 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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5ZBR
| Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J.Q, Wang, S, Feng, W. | Deposit date: | 2018-02-12 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement. J. Mol. Biol., 430, 2018
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8QRH
| Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M | Authors: | Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S. | Deposit date: | 2023-10-07 | Release date: | 2024-06-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution. Emerg Microbes Infect, 13, 2024
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6NJ9
| Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 2-to-1 complex | Descriptor: | 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... | Authors: | Worden, E.J, Hoffmann, N.A, Wolberger, C. | Deposit date: | 2019-01-02 | Release date: | 2019-02-20 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L. Cell, 176, 2019
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8TAF
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4GXL
| The crystal structure of Galectin-8 C-CRD in complex with NDP52 | Descriptor: | GLYCEROL, Galectin-8, Peptide from Calcium-binding and coiled-coil domain-containing protein 2 | Authors: | Li, S, Wandel, M.P, Li, F, Liu, Z, He, C, Wu, J, Shi, Y, Randow, F. | Deposit date: | 2012-09-04 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.023 Å) | Cite: | Sterical hindrance promotes selectivity of the autophagy cargo receptor NDP52 for the danger receptor galectin-8 in antibacterial autophagy Sci.Signal., 6, 2013
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4GRJ
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