3L26
 
 | | Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Polymerase cofactor VP35, ... | | Authors: | Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
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3IVK
 | | Crystal Structure of the Catalytic Core of an RNA Polymerase Ribozyme Complexed with an Antigen Binding Antibody Fragment | | Descriptor: | CADMIUM ION, CHLORIDE ION, Fab heavy chain, ... | | Authors: | Koldobskaya, Y, Duguid, E.M, Shechner, D.M, Koide, S, Kossiakoff, A.A, Bartel, D.P, Piccirilli, J.A. | | Deposit date: | 2009-09-01 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
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1KCS
 | | CRYSTAL STRUCTURE OF ANTIBODY PC282 IN COMPLEX WITH PS1 PEPTIDE | | Descriptor: | PC282 IMMUNOGLOBULIN, PS1 peptide | | Authors: | Nair, D.T, Singh, K, Siddiqui, Z, Nayak, B.P, Rao, K.V.S, Salunke, D.M. | | Deposit date: | 2001-11-11 | | Release date: | 2002-05-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Epitope recognition by diverse antibodies suggests conformational convergence in an antibody response.
J.Immunol., 168, 2002
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1KCU
 | | CRYSTAL STRUCTURE OF ANTIBODY PC287 | | Descriptor: | PC287 IMMUNOGLOBULIN | | Authors: | Nair, D.T, Singh, K, Siddiqui, Z, Nayak, B.P, Rao, K.V.S, Salunke, D.M. | | Deposit date: | 2001-11-11 | | Release date: | 2002-05-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Epitope recognition by diverse antibodies suggests conformational convergence in an antibody response.
J.Immunol., 168, 2002
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1KCV
 | | Crystal structure of antibody pc282 | | Descriptor: | PC282 IMMUNOGLOBULIN | | Authors: | Nair, D.T, Singh, K, Siddiqui, Z, Nayak, B.P, Rao, K.V, Salunke, D.M. | | Deposit date: | 2001-11-11 | | Release date: | 2002-05-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Epitope recognition by diverse antibodies suggests conformational convergence in an antibody response.
J.Immunol., 168, 2002
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1NG1
 | | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CADMIUM ION, ... | | Authors: | Freymann, D.M, Stroud, R.M, Walter, P. | | Deposit date: | 1998-04-30 | | Release date: | 1999-07-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP.
Nat.Struct.Biol., 6, 1999
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3GJL
 | | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3', SODIUM ION | | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | | Deposit date: | 2009-03-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
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1ZGB
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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223D
 | | DIRECT OBSERVATION OF TWO BASE-PAIRING MODES OF A CYTOSINE-THYMINE ANALOGUE WITH GUANINE IN A DNA Z-FORM DUPLEX: SIGNIFICANCE FOR BASE ANALOGUE MUTAGENESIS | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(C46)P*G)-3') | | Authors: | Moore, M.H, Van Meervelt, L, Salisbury, S.A, Kong Thoo Lin, P, Brown, D.M. | | Deposit date: | 1995-08-01 | | Release date: | 1995-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of two base-pairing modes of a cytosine-thymine analogue with guanine in a DNA Z-form duplex: significance for base analogue mutagenesis.
J.Mol.Biol., 251, 1995
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5U9Q
 | | Ocellatin-LB1 | | Descriptor: | Ocellatin-LB1 | | Authors: | Gusmao, K.A.G, Santos, D.M, de Lima, M.E, Pilo-Veloso, D, Resende, J.M. | | Deposit date: | 2016-12-17 | | Release date: | 2017-12-13 | | Last modified: | 2018-04-18 | | Method: | SOLUTION NMR | | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus.
Peptides, 103, 2018
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1ZGC
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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1YCF
 | | Oxidized (di-ferric) FprA from Moorella thermoacetica | | Descriptor: | FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, Nitric oxide reductase, ... | | Authors: | Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N. | | Deposit date: | 2004-12-22 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase.
Biochemistry, 44, 2005
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1YCG
 | | X-ray Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, ... | | Authors: | Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N. | | Deposit date: | 2004-12-22 | | Release date: | 2005-04-19 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase.
Biochemistry, 44, 2005
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1XIA
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1YCH
 | | X-ray Crystal Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase | | Descriptor: | FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, Nitric oxide reductase, ... | | Authors: | Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N. | | Deposit date: | 2004-12-22 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase.
Biochemistry, 44, 2005
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2BE2
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239 | | Descriptor: | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E. | | Deposit date: | 2005-10-21 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
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4P9F
 | | E. coli McbR/YncC | | Descriptor: | HTH-type transcriptional regulator mcbR | | Authors: | Lord, D.M, Page, R, Peti, W. | | Deposit date: | 2014-04-03 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | McbR/YncC: Implications for the Mechanism of Ligand and DNA Binding by a Bacterial GntR Transcriptional Regulator Involved in Biofilm Formation.
Biochemistry, 53, 2014
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4Q0F
 | | Crystal Structure of Thermotoga maritima FtsH Periplasmic domain | | Descriptor: | ATP-dependent zinc metalloprotease FtsH | | Authors: | An, J.Y, Sharif, H, Barrera, F.N, Karabadzhak, A, Kang, G.B, Park, K.J, Sakkiah, S, Lee, K.W, Lee, S, Engelman, D.M, Wang, J, Eom, S.H. | | Deposit date: | 2014-04-01 | | Release date: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Structures of periplasmic and transmembrane domains of FtsH suggest a reverse translocon mechanism for protein extraction from membrane
To be Published
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4Q6X
 | | Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution | | Descriptor: | MAGNESIUM ION, Phospholipase D StSicTox-betaIC1 | | Authors: | Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H. | | Deposit date: | 2014-04-23 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders.
J.Biol.Chem., 290, 2015
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4Q9S
 | | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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4R0R
 | | Ebolavirus GP Prehairpin Intermediate Mimic | | Descriptor: | eboIZN21 | | Authors: | Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
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4QTP
 | | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ... | | Authors: | Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-07-08 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
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4S0V
 | | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant | | Descriptor: | Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | | Authors: | Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M. | | Deposit date: | 2015-01-06 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.
Nature, 519, 2015
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