7BAP
 
 | | Notum Fragment 648 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-16 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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8P0V
 | | Structure of the human Commander complex coiled coils, DENND10 and partial Retriever subcomplex | | Descriptor: | Coiled-coil domain-containing protein 22, Coiled-coil domain-containing protein 93, DENN domain-containing protein 10, ... | | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | Deposit date: | 2023-05-10 | | Release date: | 2024-03-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
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7BCK
 | | Notum Fragment 791 | | Descriptor: | (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-19 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BD9
 | | Notum Fragment 886 | | Descriptor: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-21 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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5L38
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5CWU
 | | Crystal structure of Chaetomium thermophilum Nup188 TAIL domain | | Descriptor: | GLYCEROL, Nucleoporin NUP188 | | Authors: | Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2015-07-28 | | Release date: | 2015-09-16 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
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4X88
 | | E178D Selectivity filter mutant of NavMS voltage-gated pore | | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-12-10 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
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4X8K
 | | Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2 | | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor SigA, RNA polymerase-binding protein RbpA, ... | | Authors: | Hubin, E.A, Flack, J.E, Tabib-Salazar, A, Paget, M.S, Darst, S.A, Campbell, E.A. | | Deposit date: | 2014-12-10 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7BNL
 | | Notum ARUK3003710 | | Descriptor: | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P.V, Svensson, F, Steadman, D. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Notum Inhibitor ARUK3003710
To Be Published
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5L8Y
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | | Descriptor: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | | Deposit date: | 2016-06-08 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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7RYG
 | | A. baumannii Ribosome-TP-6076 complex: E-site tRNA 70S | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.38 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6ZG7
 | | bovine ATP synthase rotor domain, state 1 | | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-06-18 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6S4P
 | | The crystal structure of glycogen phosphorylase in complex with 13 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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2NU8
 | | C123aT Mutant of E. coli Succinyl-CoA Synthetase | | Descriptor: | COENZYME A, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Fraser, M.E. | | Deposit date: | 2006-11-08 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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8AJX
 | | E. coli NfsA with Fumarate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | | Authors: | Day, M.A, Jarrom, D, White, S.A, Hyde, E.I. | | Deposit date: | 2022-07-28 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate.
Proteins, 91, 2023
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8ABV
 | | Crystal structure of SpLdpA in complex with erythro-DGPD | | Descriptor: | (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, GLYCEROL, ... | | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.683 Å) | | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ABT
 | | Crystal structure of NaLdpA in complex with the product analog Resveratrol | | Descriptor: | RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein | | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ABU
 | | Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD | | Descriptor: | (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein | | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8W01
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7RS6
 | | Cryo-EM structure of Kip3 (AMPPNP) bound to GMPCPP-Stabilized Microtubules | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2024
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5JQU
 | | Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX | | Authors: | Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | An Evolved Orthogonal Enzyme/Cofactor Pair.
J.Am.Chem.Soc., 138, 2016
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8W04
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6ZIK
 | | bovine ATP synthase rotor domain, state 3 | | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-06-26 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WQV
 | | GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis with bound cellotriose | | Descriptor: | 1,2-ETHANEDIOL, Endoglucanase, NITRATE ION, ... | | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2020-04-29 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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