3ZLX
 
 | | Crystal structure of MEK1 in complex with fragment 18 | | Descriptor: | 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
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7AZS
 | | 70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569 | | Descriptor: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ... | | Authors: | Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A. | | Deposit date: | 2020-11-17 | | Release date: | 2022-06-08 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
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3BN0
 | | The ribosomal protein S16 from Aquifex aeolicus | | Descriptor: | 30S ribosomal protein S16, GLYCEROL | | Authors: | Pylypenko, O, Rak, A. | | Deposit date: | 2007-12-13 | | Release date: | 2008-05-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Extreme temperature tolerance of a hyperthermophilic protein coupled to residual structure in the unfolded state
J.Mol.Biol., 379, 2008
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4AT3
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | | Descriptor: | (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4ASZ
 | | Crystal structure of apo TrkB kinase domain | | Descriptor: | BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4AT5
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | | Descriptor: | 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4CP6
 | | The Crystal structure of Pneumococcal vaccine antigen PcpA | | Descriptor: | CHOLINE BINDING PROTEIN PCPA | | Authors: | Vallee, F, Steier, V, Oloo, E, Chawla, D, Vonrhein, C, Steinmetz, A, Mathieu, M, Rak, A, Mikol, V, Oomen, R. | | Deposit date: | 2014-01-31 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | The Crystal Structure of Pneumoccocal Vaccine Antigen Pcpa
To be Published
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4AT4
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | | Descriptor: | 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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1DGZ
 | | RIBOSMAL PROTEIN L36 FROM THERMUS THERMOPHILUS: NMR STRUCTURE ENSEMBLE | | Descriptor: | PROTEIN (L36 RIBOSOMAL PROTEIN), ZINC ION | | Authors: | Hard, T, Rak, A, Allard, P, Kloo, L, Garber, M. | | Deposit date: | 1999-11-27 | | Release date: | 1999-12-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of ribosomal protein L36 from Thermus thermophilus reveals a zinc-ribbon-like fold.
J.Mol.Biol., 296, 2000
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1DFE
 | | NMR STRUCTURE OF RIBOSOMAL PROTEIN L36 FROM THERMUS THERMOPHILUS | | Descriptor: | L36 RIBOSOMAL PROTEIN, ZINC ION | | Authors: | Hard, T, Rak, A, Allard, P, Kloo, L, Garber, M. | | Deposit date: | 1999-11-19 | | Release date: | 1999-12-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of ribosomal protein L36 from Thermus thermophilus reveals a zinc-ribbon-like fold.
J.Mol.Biol., 296, 2000
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1KY2
 | | GPPNHP-BOUND YPT7P AT 1.6 A RESOLUTION | | Descriptor: | GTP-BINDING PROTEIN YPT7P, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Constantinescu, A.-T, Rak, A, Scheidig, A.J. | | Deposit date: | 2002-02-02 | | Release date: | 2002-06-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rab-subfamily-specific regions of Ypt7p are structurally different from other RabGTPases.
Structure, 10, 2002
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1KY3
 | | GDP-BOUND YPT7P AT 1.35 A RESOLUTION | | Descriptor: | GTP-BINDING PROTEIN YPT7P, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Constantinescu, A.-T, Rak, A, Scheidig, A.J. | | Deposit date: | 2002-02-02 | | Release date: | 2002-06-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Rab-subfamily-specific regions of Ypt7p are structurally different from other RabGTPases.
Structure, 10, 2002
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4OAV
 | | Complete human RNase L in complex with 2-5A (5'-ppp heptamer), AMPPCP and RNA substrate. | | Descriptor: | (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Han, Y, Donovan, J, Rath, S, Whitney, G, Chitrakar, A, Korennykh, A. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Science, 343, 2014
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4OAU
 | | Complete human RNase L in complex with biological activators. | | Descriptor: | 2-5A-dependent ribonuclease, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Han, Y, Donovan, J, Rath, S, Whitney, G, Chitrakar, A, Korennykh, A. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Science, 343, 2014
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4WEB
 | | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ... | | Authors: | Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J. | | Deposit date: | 2014-09-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
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5DLV
 | | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | | Descriptor: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
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1VYB
 | | Endonuclease domain of human LINE1 ORF2p | | Descriptor: | GLYCEROL, ORF2 CONTAINS A REVERSE TRANSCRIPTASE DOMAIN, SULFATE ION, ... | | Authors: | Weichenrieder, O, Repanas, K, Perrakis, A. | | Deposit date: | 2004-04-25 | | Release date: | 2004-06-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the targeting endonuclease of the human LINE-1 retrotransposon.
Structure, 12, 2004
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8E10
 | | Structure of mouse polymerase beta | | Descriptor: | DNA polymerase beta, MALONIC ACID | | Authors: | Thompson, M.K, Sharma, N, Prakash, A. | | Deposit date: | 2022-08-09 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
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8E11
 | | Structure of mouse DNA polymerase Beta (PolB) mutant | | Descriptor: | ACETATE ION, DNA polymerase beta, MALONIC ACID | | Authors: | Sharma, N, Thompson, M.K, Prakash, A. | | Deposit date: | 2022-08-09 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
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6NVQ
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8DK6
 | | Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ... | | Authors: | Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J. | | Deposit date: | 2022-07-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Regions of hepatitis C virus E2 required for membrane association.
Nat Commun, 14, 2023
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3JTZ
 | | Structure of the arm-type binding domain of HPI integrase | | Descriptor: | Integrase, SODIUM ION | | Authors: | Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A. | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
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3JU0
 | | Structure of the arm-type binding domain of HAI7 integrase | | Descriptor: | Phage integrase | | Authors: | Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A. | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
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7A5U
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1OH5
 | | THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A C:A MISMATCH | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*CP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP *CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*AP*TP*GP*GP *CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Natrajan, G, Lamers, M.H, Enzlin, J.H, Winterwerp, H.H.K, Perrakis, A, Sixma, T.K. | | Deposit date: | 2003-05-23 | | Release date: | 2003-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Nucleic Acids Res., 31, 2003
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