4G0L
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![BU of 4g0l by Molmil](/molmil-images/mine/4g0l) | Glutathionyl-hydroquinone Reductase, YqjG, of E.coli complexed with GSH | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, SULFATE ION, ... | Authors: | Green, A.R, Hayes, R.P, Xun, L, Kang, C. | Deposit date: | 2012-07-09 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural understanding of the glutathione-dependent reduction mechanism of glutathionyl-hydroquinone reductases. J.Biol.Chem., 287, 2012
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7B03
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7M17
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![BU of 7m17 by Molmil](/molmil-images/mine/7m17) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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4JTR
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![BU of 4jtr by Molmil](/molmil-images/mine/4jtr) | AKR1C2 complex with ibuprofen | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-24 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of NSAID selectivity for the AKR1C family To be Published
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4G0V
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![BU of 4g0v by Molmil](/molmil-images/mine/4g0v) | Human topoisomerase iibeta in complex with DNA and mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | Deposit date: | 2012-07-10 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.548 Å) | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs Nucleic Acids Res., 41, 2013
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4G1N
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![BU of 4g1n by Molmil](/molmil-images/mine/4g1n) | PKM2 in complex with an activator | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy. Chem.Biol., 19, 2012
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6NT4
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![BU of 6nt4 by Molmil](/molmil-images/mine/6nt4) | Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2. | Descriptor: | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Clairfeuille, T, Rohou, A, Payandeh, J. | Deposit date: | 2019-01-28 | Release date: | 2019-02-20 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of alpha-scorpion toxin action on Na v channels. Science, 363, 2019
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4GFH
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![BU of 4gfh by Molmil](/molmil-images/mine/4gfh) | Topoisomerase II-DNA-AMPPNP complex | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*AP*CP*TP*GP*CP*TP*AP*C)-3'), ... | Authors: | Schmidt, B.H, Osheroff, N, Berger, J.M. | Deposit date: | 2012-08-03 | Release date: | 2012-10-03 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (4.408 Å) | Cite: | Structure of a topoisomerase II-DNA-nucleotide complex reveals a new control mechanism for ATPase activity. Nat.Struct.Mol.Biol., 19, 2012
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6NTG
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![BU of 6ntg by Molmil](/molmil-images/mine/6ntg) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 in Complex with Reactivator, HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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7LBM
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![BU of 7lbm by Molmil](/molmil-images/mine/7lbm) | Structure of the human Mediator-bound transcription pre-initiation complex | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Abdella, R, Talyzina, A, He, Y. | Deposit date: | 2021-01-08 | Release date: | 2021-03-24 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure of the human Mediator-bound transcription preinitiation complex. Science, 372, 2021
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6NTW
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![BU of 6ntw by Molmil](/molmil-images/mine/6ntw) | Crystal structure of E. coli YcbB | Descriptor: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Probable L,D-transpeptidase YcbB, SULFATE ION | Authors: | Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J. | Deposit date: | 2019-01-30 | Release date: | 2019-03-20 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli. Nat Commun, 10, 2019
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6NU5
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![BU of 6nu5 by Molmil](/molmil-images/mine/6nu5) | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Srivastava, D, Nandi, S, Dey, M. | Deposit date: | 2019-01-30 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2. Biochemistry, 58, 2019
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3IGA
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![BU of 3iga by Molmil](/molmil-images/mine/3iga) | Potassium Channel KcsA-Fab complex in Li+ and K+ | Descriptor: | Antibody Fab Fragment heavy chain, Antibody Fab fragment light chain, DIACYL GLYCEROL, ... | Authors: | Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M. | Deposit date: | 2009-07-27 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore. Nat.Struct.Mol.Biol., 16, 2009
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6NND
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![BU of 6nnd by Molmil](/molmil-images/mine/6nnd) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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4G4G
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![BU of 4g4g by Molmil](/molmil-images/mine/4g4g) | Crystal structure of recombinant glucuronoyl esterase from Sporotrichum thermophile determined at 1.55 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-glucuronoyl methylesterase, GLYCEROL | Authors: | Charavgi, M.D, Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | Deposit date: | 2012-07-16 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst. Acta Crystallogr.,Sect.D, 69, 2013
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7LQW
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![BU of 7lqw by Molmil](/molmil-images/mine/7lqw) | Cryo-EM structure of NTD-directed neutralizing antibody 2-17 Fab in complex with SARS-CoV-2 S2P spike | Descriptor: | 2-17 Heavy Chain, 2-17 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2021-02-15 | Release date: | 2021-03-24 | Last modified: | 2021-05-26 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite. Cell Host Microbe, 29, 2021
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3G73
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![BU of 3g73 by Molmil](/molmil-images/mine/3g73) | Structure of the FOXM1 DNA binding | Descriptor: | DNA (5'-D(P*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(P*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein M1, ... | Authors: | Littler, D.R, Perrakis, A, Hibbert, R.G, Medema, R.H. | Deposit date: | 2009-02-09 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure of the FoxM1 DNA-recognition domain bound to a promoter sequence Nucleic Acids Res., 2010
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7M19
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![BU of 7m19 by Molmil](/molmil-images/mine/7m19) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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6NPL
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![BU of 6npl by Molmil](/molmil-images/mine/6npl) | Cryo-EM structure of NKCC1 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2019-08-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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4JB4
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![BU of 4jb4 by Molmil](/molmil-images/mine/4jb4) | Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility | Descriptor: | Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ... | Authors: | Wohlkonig, A.C. | Deposit date: | 2013-02-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility. Biochemistry, 52, 2013
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7LBY
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6NTO
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![BU of 6nto by Molmil](/molmil-images/mine/6nto) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6XJX
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![BU of 6xjx by Molmil](/molmil-images/mine/6xjx) | MCU holocomplex in Low-calcium blocking state | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | Authors: | Wang, Y, Jiang, Y. | Deposit date: | 2020-06-24 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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7LO4
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4JSF
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![BU of 4jsf by Molmil](/molmil-images/mine/4jsf) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-03-22 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
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