6W2P
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![BU of 6w2p by Molmil](/molmil-images/mine/6w2p) | APE1 endonuclease product complex L104R | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6Q9K
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![BU of 6q9k by Molmil](/molmil-images/mine/6q9k) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q2L
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6Q3U
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![BU of 6q3u by Molmil](/molmil-images/mine/6q3u) | Gly52Ala mutant of arginine-bound ArgBP from T. maritima | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | Authors: | Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L. | Deposit date: | 2018-12-04 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability. Sci Rep, 9, 2019
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6VVE
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![BU of 6vve by Molmil](/molmil-images/mine/6vve) | Legionella pneumophila Lpg2603 kinase bound to IP6, Mn2+, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dot/Icm T4SS effector, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Tomchick, D.R, Tagliabracci, V.S, Park, B.C. | Deposit date: | 2020-02-17 | Release date: | 2020-04-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | ALegionellaeffector kinase is activated by host inositol hexakisphosphate. J.Biol.Chem., 295, 2020
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6W3L
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![BU of 6w3l by Molmil](/molmil-images/mine/6w3l) | APE1 exonuclease substrate complex wild-type | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-09 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6UE3
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![BU of 6ue3 by Molmil](/molmil-images/mine/6ue3) | |
6UDB
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![BU of 6udb by Molmil](/molmil-images/mine/6udb) | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | DI(HYDROXYETHYL)ETHER, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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6OEY
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![BU of 6oey by Molmil](/molmil-images/mine/6oey) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OHL
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![BU of 6ohl by Molmil](/molmil-images/mine/6ohl) | |
1YPH
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![BU of 1yph by Molmil](/molmil-images/mine/1yph) | High resolution structure of bovine alpha-chymotrypsin | Descriptor: | CHYMOTRYPSIN A, chain A, chain B, ... | Authors: | Razeto, A, Galunsky, B, Kasche, V, Wilson, K.S, Lamzin, V.S. | Deposit date: | 2005-01-31 | Release date: | 2006-02-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | High resolution structure of native bovine alpha-chymotrypsin To be Published
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6W4I
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![BU of 6w4i by Molmil](/molmil-images/mine/6w4i) | APE1 Y269A product complex with abasic DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2020-03-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop. Nucleic Acids Res., 48, 2020
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6OFN
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![BU of 6ofn by Molmil](/molmil-images/mine/6ofn) | Crystal structure of green fluorescent protein (GFP); S65T, T203(3-OMeY); ih circular permutant (50-51) | Descriptor: | Green fluorescent protein (GFP); S65T, T203(3-OMeY); ih circular permutant (50-51) | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-03-31 | Release date: | 2019-07-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins. J.Am.Chem.Soc., 141, 2019
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5OMH
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![BU of 5omh by Molmil](/molmil-images/mine/5omh) | p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11 | Descriptor: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-07-31 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
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6OJO
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6W0Q
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![BU of 6w0q by Molmil](/molmil-images/mine/6w0q) | APE1 endonuclease product complex D148E | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-02 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6Q1N
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![BU of 6q1n by Molmil](/molmil-images/mine/6q1n) | Glucocerebrosidase in complex with pharmacological chaperone IMX8 | Descriptor: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | Deposit date: | 2019-08-05 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.526 Å) | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models. To Be Published
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6W43
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![BU of 6w43 by Molmil](/molmil-images/mine/6w43) | APE1 AP-endonuclease product complex R237C | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Freudenthal, B.D, Whitaker, A.M. | Deposit date: | 2020-03-10 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms. DNA Repair (Amst.), 91-92, 2020
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6QDR
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![BU of 6qdr by Molmil](/molmil-images/mine/6qdr) | Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C. | Deposit date: | 2019-01-02 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.615 Å) | Cite: | Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth. Cell Chem Biol, 27, 2020
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6OCC
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![BU of 6occ by Molmil](/molmil-images/mine/6occ) | JAK2 JH2 in complex with JAK190 | Descriptor: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-22 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OBF
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![BU of 6obf by Molmil](/molmil-images/mine/6obf) | JAK2 JH2 in complex with JAK179 | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6VX2
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![BU of 6vx2 by Molmil](/molmil-images/mine/6vx2) | |
6OOG
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![BU of 6oog by Molmil](/molmil-images/mine/6oog) | |
6OPT
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![BU of 6opt by Molmil](/molmil-images/mine/6opt) | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPX
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![BU of 6opx by Molmil](/molmil-images/mine/6opx) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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