6A2R
 
 | | Mycobacterium tuberculosis LexA C-domain II | | Descriptor: | DI(HYDROXYETHYL)ETHER, LexA repressor | | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | | Deposit date: | 2018-06-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment.
Acta Crystallogr D Struct Biol, 75, 2019
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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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1H6M
 | | Covalent glycosyl-enzyme intermediate of hen egg white lysozyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION | | Authors: | Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G. | | Deposit date: | 2001-06-19 | | Release date: | 2001-08-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
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5FIS
 | | Exonuclease domain-containing 1 (Exd1) in the Gd bound conformation | | Descriptor: | EXD1, GADOLINIUM ATOM | | Authors: | Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2015-10-02 | | Release date: | 2015-12-23 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
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5FIQ
 | | Exonuclease domain-containing 1 (Exd1) in the native conformation | | Descriptor: | EXD1 | | Authors: | Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2015-10-01 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
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4B9W
 | | Structure of extended Tudor domain TD3 from mouse TDRD1 in complex with MILI peptide containing dimethylarginine 45. | | Descriptor: | GLYCEROL, PIWI-LIKE PROTEIN 2, TUDOR DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Mathioudakis, N, Palencia, A, Kadlec, J, Round, A, Tripsianes, K, Sattler, M, Pillai, R.S, Cusack, S. | | Deposit date: | 2012-09-08 | | Release date: | 2012-10-17 | | Last modified: | 2019-04-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The multiple Tudor domain-containing protein TDRD1 is a molecular scaffold for mouse Piwi proteins and piRNA biogenesis factors.
Rna, 18, 2012
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4B9X
 | | Structure of extended Tudor domain TD3 from mouse TDRD1 | | Descriptor: | TUDOR DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Mathioudakis, N, Palencia, A, Kadlec, J, Round, A, Tripsianes, K, Sattler, M, Pillai, R.S, Cusack, S. | | Deposit date: | 2012-09-08 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Multiple Tudor Domain-Containing Protein Tdrd1 is a Molecular Scaffold for Mouse Piwi Proteins and Pirna Biogenesis Factors.
RNA, 18, 2012
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2W1B
 | | The structure of the efflux pump AcrB in complex with bile acid | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACRIFLAVIN RESISTANCE PROTEIN B | | Authors: | Drew, D, Klepsch, M.M, Newstead, S, Flaig, R, De Gier, J.W, Iwata, S, Beis, K. | | Deposit date: | 2008-10-17 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | The Structure of the Efflux Pump Acrb in Complex with Bile Acid.
Mol.Membr.Biol., 25, 2008
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5ANQ
 | | inhibitors of JumonjiC domain-containing histone demethylases | | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | | Deposit date: | 2015-09-07 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
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4D25
 | | Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA and AMPPNP | | Descriptor: | 5'-R(*UP*GP*AP*CP*AP*UP)-3', BMVLG PROTEIN, GLYCEROL, ... | | Authors: | Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S. | | Deposit date: | 2014-05-07 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
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4D26
 | | Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA,ADP and Pi | | Descriptor: | 5'-R(*UP*GP*AP*CP*AP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, BMVLG PROTEIN, ... | | Authors: | Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S. | | Deposit date: | 2014-05-07 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
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6GFN
 | | METTL16 MTase domain | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
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6GFK
 | | delta-N METTL16 MTase domain | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
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6GT5
 | | METTL16 MTase domain (crystal form 2) | | Descriptor: | U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2018-06-15 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
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4P1Z
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4QIA
 | | Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine | | Descriptor: | Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION | | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-05-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
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7BJK
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6SCX
 | | Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Peroxisomal NADH pyrophosphatase NUDT12 | | Authors: | McCarthy, A.A, Chen, K.M, Wu, H, Li, L, Homolka, D, Gos, P, Fleury-Olela, F, Pillai, R.S. | | Deposit date: | 2019-07-25 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Decapping Enzyme NUDT12 Partners with BLMH for Cytoplasmic Surveillance of NAD-Capped RNAs.
Cell Rep, 29, 2019
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2AJL
 | | X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor | | Descriptor: | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | | Authors: | Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. | | Deposit date: | 2005-08-02 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
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5AF0
 | | MAEL domain from Bombyx mori Maelstrom | | Descriptor: | MAELSTROM, ZINC ION | | Authors: | Chen, K, Campbell, E, Pandey, R.R, Yang, Z, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2015-01-13 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Metazoan Maelstrom is an RNA-Binding Protein that Has Evolved from an Ancient Nuclease Active in Protists.
RNA, 21, 2015
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5AFW
 | | Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | | Authors: | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | | Deposit date: | 2015-01-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
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3D24
 | | Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha) in complex with the peroxisome proliferators-activated receptor coactivator-1alpha box3 peptide (PGC-1alpha) | | Descriptor: | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR1 | | Authors: | Moras, D, Greschik, H, Flaig, R, Sato, Y, Rochel, N, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2008-05-07 | | Release date: | 2008-06-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Communication between the ERR{alpha} Homodimer Interface and the PGC-1{alpha} Binding Surface via the Helix 8-9 Loop.
J.Biol.Chem., 283, 2008
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2XFM
 | | Complex structure of the MIWI Paz domain bound to methylated single stranded RNA | | Descriptor: | 5'-R(*AP*CP*CP*GP*AP*CP*UP*(OMU)P)-3', PIWI-LIKE PROTEIN 1 | | Authors: | Simon, B, Kirkpatrick, J.P, Eckhardt, S, Sehr, P, Andrade-Navarro, M.A, Pillai, R.S, Carlomagno, T. | | Deposit date: | 2010-05-27 | | Release date: | 2011-01-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Recognition of 2'-O-Methylated 3'-End of Pirna by the Paz Domain of a Piwi Protein.
Structure, 19, 2011
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1BP4
 | | USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. | | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN | | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | | Deposit date: | 1998-08-12 | | Release date: | 1999-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
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1VJB
 | | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | | Deposit date: | 2004-02-03 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
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