4CCR
| Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, THIOREDOXIN REDUCTASE | Authors: | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | Deposit date: | 2013-10-25 | Release date: | 2014-11-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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1LEI
| The kB DNA sequence from the HLV-LTR functions as an allosteric regulator of HIV transcription | Descriptor: | 5'-D(*CP*TP*CP*AP*GP*GP*GP*AP*AP*AP*GP*TP*AP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*5ITP*AP*CP*5ITP*5ITP*5ITP*CP*CP*CP*TP*GP*AP*G)-3', NUCLEAR FACTOR NF-KAPPA-B P50 SUBUNIT, ... | Authors: | Chen-Park, F, Huang, D.B, Ghosh, G. | Deposit date: | 2002-04-09 | Release date: | 2003-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The kB DNA sequence from the HIV Long Terminal Repeat functions as an allosteric regulator of HIV transcription J.Biol.Chem., 277, 2002
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1LGV
| Structure of a Human Bence-Jones Dimer Crystallized in U.S. Space Shuttle Mission STS-95: 100K | Descriptor: | IMMUNOGLOBULIN LAMBDA LIGHT CHAIN | Authors: | Terzyan, S.S, DeWitt, C.R, Ramsland, P.A, Bourne, P.C, Edmundson, A.B. | Deposit date: | 2002-04-16 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Comparison of the three-dimensional structures of a human Bence-Jones dimer
crystallized on Earth and aboard US Space Shuttle Mission STS-95 J.MOL.RECOG., 16, 2003
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5TBI
| Crystal structure of mouse CARM1 in complex with inhibitor LH1427 | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one, ... | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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6UFT
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1TVK
| The binding mode of epothilone A on a,b-tubulin by electron crystallography | Descriptor: | EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Nettles, J.H, Li, H, Cornett, B, Krahn, J.M, Snyder, J.P, Downing, K.H. | Deposit date: | 2004-06-29 | Release date: | 2004-09-14 | Last modified: | 2023-08-23 | Method: | ELECTRON CRYSTALLOGRAPHY (2.89 Å) | Cite: | The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography Science, 305, 2004
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7CUM
| Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626 | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, CHOLESTEROL, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Kim, Y, Jeong, E, Jeong, J, Kim, Y, Cho, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural Basis for Activation of the Heterodimeric GABA B Receptor. J.Mol.Biol., 432, 2020
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5C6C
| PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-22 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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4P46
| J809.B5 Y31A TCR bound to IAb3K | Descriptor: | 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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5U81
| Acid ceramidase (ASAH1, aCDase) from naked mole rat, Cys143Ala, uncleaved | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid ceramidase isoform b, CHLORIDE ION, ... | Authors: | Gebai, A, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2016-12-13 | Release date: | 2018-03-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for the activation of acid ceramidase. Nat Commun, 9, 2018
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1GXI
| PsaE Subunit of the Photosystem I of the Cyanobacterium Synechocystis sp. PCC 6803 | Descriptor: | PHOTOSYSTEM I REACTION CENTER SUBUNIT IV | Authors: | Barth, P, Savarin, P, Gilquin, B, Lagoutte, B, Ochsenbein, F. | Deposit date: | 2002-04-05 | Release date: | 2003-04-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure and Backbone Dynamics of the Psae Subunit of Photosyetm I from Synechocystis Sp. Pcc 6803 Biochemistry, 41, 2002
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3BDX
| Crystal structure of the unstable and highly fibrillogenic Pro7Ser mutant of the Recombinant variable domain 6AJL2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Amyloid lambda 6 light chain variable region PIP (fragment), ... | Authors: | Hernandez-Santoyo, A, Fuentes-Silva, D, Del Pozo Yauner, L, Becerril, B, Rodriguez-Romero, A. | Deposit date: | 2007-11-15 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A single mutation at the sheet switch region results in conformational changes favoring lambda6 light-chain fibrillogenesis. J.Mol.Biol., 396, 2010
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5Y6D
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5CF8
| CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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1UNQ
| High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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6F1X
| Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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1M6R
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1M34
| Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-27 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure Biochemistry, 41, 2002
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4IEN
| Crystal Structure of Acyl-CoA Hydrolase from Neisseria meningitidis FAM18 | Descriptor: | CHLORIDE ION, COENZYME A, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Khandokar, Y.B, Forwood, J.K. | Deposit date: | 2012-12-13 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expression, purification and crystallization of acetyl-CoA hydrolase from Neisseria meningitidis. Acta Crystallogr.,Sect.F, 69, 2013
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6F23
| Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | Descriptor: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | Authors: | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6M4G
| Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (93-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-06 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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1OY3
| CRYSTAL STRUCTURE OF AN IKBBETA/NF-KB P65 HOMODIMER COMPLEX | Descriptor: | Transcription factor p65, transcription factor inhibitor I-kappa-B-beta | Authors: | Malek, S, Huang, D.B, Huxford, T, Ghosh, S, Ghosh, G. | Deposit date: | 2003-04-03 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray crystal structure of an IkappaBbeta x NF-kappaB p65 homodimer complex. J.Biol.Chem., 278, 2003
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5CDP
| 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | 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(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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3FYP
| Crystal structure of the quadruple mutant (N23C/C246S/D247E/P249A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jameson, G.B, Parker, E.J, Cochrane, F.P, Patchett, M.L. | Deposit date: | 2009-01-22 | Release date: | 2009-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Reversing evolution: re-establishing obligate metal ion dependence in a metal-independent KDO8P synthase J.Mol.Biol., 390, 2009
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8TQD
| NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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