4JTC
| Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+ | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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4JRP
| Structure of E. coli Exonuclease I in complex with a 5cy-dT13 oligonucleotide | Descriptor: | 5cy-dT13, Exodeoxyribonuclease I, GLYCEROL, ... | Authors: | Bell, C.E. | Deposit date: | 2013-03-21 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion. Nucleic Acids Res., 41, 2013
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3QXD
| F54C HLA-DR1 bound with CLIP peptide | Descriptor: | HLA class II histocompatibility antigen gamma chain peptide, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Painter, C.A, Stern, L.J. | Deposit date: | 2011-03-01 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Conformational lability in the class II MHC 310 helix and adjacent extended strand dictate HLA-DM susceptibility and peptide exchange. Proc.Natl.Acad.Sci.USA, 108, 2011
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4JSK
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-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 (2.28 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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6EUB
| The fibrinogen-like domain of human Angptl4 | Descriptor: | Angiopoietin-related protein 4, PENTAETHYLENE GLYCOL | Authors: | Biterova, E.I, Esmaeeli, M, Alanen, H.I, Saaranen, M, Ruddock, L.W. | Deposit date: | 2017-10-30 | Release date: | 2018-05-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease. Sci Rep, 8, 2018
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6F0I
| GLIC mutant E26A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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3QX3
| Human topoisomerase IIbeta in complex with DNA and etoposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 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, Farh, L, Lin, L.Y, Lin, T.S, Yu, Y.J, Yen, T.J, Chiang, C.W, Chan, N.L. | Deposit date: | 2011-03-01 | Release date: | 2011-07-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide Science, 333, 2011
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5YC8
| Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS (Hg-derivative) | Descriptor: | MERCURY (II) ION, Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine | Authors: | Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-06 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor Nat. Chem. Biol., 14, 2018
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6F0J
| GLIC mutant E26A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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4KCK
| Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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6F13
| GLIC mutant E75A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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3QXA
| HLA-DR1 bound with CLIP peptide | Descriptor: | HLA class II histocompatibility antigen gamma chain peptide, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Painter, C.A, Stern, L.J. | Deposit date: | 2011-03-01 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | Conformational lability in the class II MHC 310 helix and adjacent extended strand dictate HLA-DM susceptibility and peptide exchange. Proc.Natl.Acad.Sci.USA, 108, 2011
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5Y0B
| PIG GASTRIC H+,K+ - ATPASE IN COMPLEX with BYK99 | Descriptor: | Potassium-transporting ATPase alpha chain 1, Potassium-transporting ATPase subunit beta | Authors: | Abe, K, Shimokawa, J, Natio, M, Munson, K, Vagin, O, Sachs, G, Suzuki, H, Tani, K, Fujiyoshi, Y. | Deposit date: | 2017-07-16 | Release date: | 2017-08-09 | Method: | ELECTRON CRYSTALLOGRAPHY (6.7 Å) | Cite: | The cryo-EM structure of gastric H(+),K(+)-ATPase with bound BYK99, a high-affinity member of K(+)-competitive, imidazo[1,2-a]pyridine inhibitors Sci Rep, 7, 2017
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6F56
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4KFD
| Crystal structure of Hansenula polymorpha copper amine oxidase-1 reduced by methylamine at pH 6.0 | Descriptor: | COPPER (II) ION, GLYCEROL, HYDROGEN PEROXIDE, ... | Authors: | Johnson, B.J, Yukl, E.T, Klema, V.J, Wilmot, C.M. | Deposit date: | 2013-04-26 | Release date: | 2013-08-21 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural evidence for the semiquinone in a copper amine oxidase from Hansenula polymorpha: implications for the catalytic mechanism J.Biol.Chem., 2013
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5Y2F
| Human SIRT6 in complex with allosteric activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-07-25 | Release date: | 2018-11-07 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
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5YHT
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6F78
| Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | Descriptor: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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3QZZ
| 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form | Descriptor: | Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | Deposit date: | 2011-03-07 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants. Iubmb Life, 63, 2011
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6F9U
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3RDO
| Crystal structure of R7-2 streptavidin complexed with biotin | Descriptor: | BIOTIN, GLYCEROL, NICKEL (II) ION, ... | Authors: | Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C. | Deposit date: | 2011-04-01 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.404 Å) | Cite: | Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding. Protein Sci., 20, 2011
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3R1R
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3RE5
| Crystal structure of R4-6 streptavidin | Descriptor: | GLYCEROL, PENTAETHYLENE GLYCOL, Streptavidin | Authors: | Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C. | Deposit date: | 2011-04-02 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding. Protein Sci., 20, 2011
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3REB
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4KKL
| Structure of the E148A mutant of CLC-ec1 delta NC construct in 100mM fluoride | Descriptor: | FLUORIDE ION, Fab, heavy chain, ... | Authors: | Stockbridge, R.B, Lim, H.-H, Miller, C. | Deposit date: | 2013-05-06 | Release date: | 2013-08-21 | Last modified: | 2013-12-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fluoride-dependent interruption of the transport cycle of a CLC Cl(-)/H(+) antiporter. Nat.Chem.Biol., 9, 2013
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