5III
 
 | | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ... | | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | | Deposit date: | 2016-03-01 | | Release date: | 2016-08-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
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5IJ7
 | | Structure of Hs/AcPRC2 in complex with a pyridone inhibitor | | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | | Deposit date: | 2016-03-01 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
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5IHH
 | | Crystal structure of human transthyretin in complex with luteolin-MeO at 1.35 A resolution | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one, SODIUM ION, Transthyretin | | Authors: | Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
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5IK7
 | | Laminin A2LG45 I-form, Apo. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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5IIO
 | | Crystal structure of the DNA polymerase lambda binary complex | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | | Deposit date: | 2016-03-01 | | Release date: | 2016-08-17 | | Last modified: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
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5IL3
 | | Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Mg2+ ions | | Descriptor: | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, 5-epi-aristolochene synthase, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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5ILH
 | | Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Ca2+ ions | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 5-epi-aristolochene synthase, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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5IJR
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-1 ligand. | | Descriptor: | DIMETHYL SULFOXIDE, L-HOMOARGININE, Neuropilin-1 | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-03-02 | | Release date: | 2017-03-29 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5IK4
 | | Laminin A2LG45 C-form, Apo. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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5IKK
 | | Structure of the histone deacetylase Clr3 | | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase clr3, MAGNESIUM ION, ... | | Authors: | Brugger, C, Schalch, T. | | Deposit date: | 2016-03-03 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016
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5IQY
 | | Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method | | Descriptor: | Dehydroascorbate reductase, IODIDE ION | | Authors: | Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. | | Deposit date: | 2016-03-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
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5IM3
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5I3L
 | | DPF3b in complex with H3K14ac peptide | | Descriptor: | 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ... | | Authors: | Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-10 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of DPF3b in complex with an acetylated histone peptide.
J.Struct.Biol., 195, 2016
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5I4J
 | | Dps4 from Nostoc punctiforme in complex with Zn ions | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ferritin, Dps family protein, ... | | Authors: | Howe, C, Moparthi, V.K, Persson, K, Stensjo, K. | | Deposit date: | 2016-02-12 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | On the trail of iron into Dps4 from N. punctiforme
To Be Published
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5I5I
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5IQK
 | | Rm3 metallo-beta-lactamase | | Descriptor: | ZINC ION, beta-lactamase Rm3 | | Authors: | Salimraj, R, Spencer, J. | | Deposit date: | 2016-03-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
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5I3I
 | | Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase, glycosomal | | Authors: | Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. | | Deposit date: | 2016-02-10 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
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5I3Q
 | | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 | | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-02-10 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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6TE6
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 3). | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine | | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | Deposit date: | 2019-11-11 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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7ER2
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 | | Descriptor: | 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2021-05-05 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.662 Å) | | Cite: | Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
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6TRY
 | | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound | | Descriptor: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | Authors: | Gelardi, E.L.M, Garavaglia, S. | | Deposit date: | 2019-12-19 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- a ]pyridines against the 1A Family.
Acs Med.Chem.Lett., 11, 2020
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6TEL
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 10). | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ... | | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | Deposit date: | 2019-11-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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6THP
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5NZ8
 | | Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound | | Descriptor: | Cellodextrin phosphorylase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | O'Neill, E.C, Pergolizzi, G, Stevenson, C.E.M, Lawson, D.M, Nepogodiev, S.A, Field, R.A. | | Deposit date: | 2017-05-12 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cellodextrin phosphorylase from Ruminiclostridium thermocellum: X-ray crystal structure and substrate specificity analysis.
Carbohydr. Res., 451, 2017
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6TEN
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 11). | | Descriptor: | 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | Deposit date: | 2019-11-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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