PDB: 45459 resultsInfo pagesStatus searchChemie searchBIRD

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7YXJ	Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ... Authors: Chowdhury, R, Schofield, C.J. Deposit date: 2022-02-16 Release date: 2022-04-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans. Sci Rep, 12, 2022
7YXG	Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ... Authors: Chowdhury, R, Schofield, C.J. Deposit date: 2022-02-16 Release date: 2022-04-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.641 Å) Cite: Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans. Sci Rep, 12, 2022
7YXK	Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA) Descriptor: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Chowdhury, R, Schofield, C.J. Deposit date: 2022-02-16 Release date: 2022-04-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans. Sci Rep, 12, 2022
7ZEJ	Crystal structure of the human MGC45594 gene product in complex with celecoxib. Descriptor: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 Authors: Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) Deposit date: 2022-03-31 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
7Z60	Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside Descriptor: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... Authors: Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. Deposit date: 2022-03-10 Release date: 2022-05-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
7YZ9	Structure of catalytic domain of Rv1625c bound to nanobody NB4 Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, GLYCEROL, ... Authors: Khanppnavar, B, Mehta, V.J, Iype, T, Korkhov, V.M. Deposit date: 2022-02-19 Release date: 2022-08-31 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases. Elife, 11, 2022
4ID1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2012-12-11 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation. Proc.Natl.Acad.Sci.USA, 110, 2013
4IH6	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds Descriptor: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase Authors: Harris, S.F, Wong, A. Deposit date: 2012-12-18 Release date: 2013-07-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
4IH7	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION Authors: Harris, S.F, Wong, A. Deposit date: 2012-12-18 Release date: 2013-07-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
4IHL	Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A Descriptor: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ... Authors: Molzan, M, Ottmann, C. Deposit date: 2012-12-19 Release date: 2013-09-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers. Acs Chem.Biol., 8, 2013
4IF8	Structure Of Vaspin Descriptor: SULFATE ION, Serpin A12 Authors: Kuettner, E.B, Strater, N, Heiker, J.T, Kloting, N, Kovacs, P, Schultz, S, Kern, M, Stumvoll, M, Bluher, M, Beck-Sickinger, A.G. Deposit date: 2012-12-14 Release date: 2013-02-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Vaspin inhibits kallikrein 7 by serpin mechanism Cell.Mol.Life Sci., 70, 2013
4IQS	RNA 8mer duplex modified with 4-Se-Uridine Descriptor: RNA (5'-R(*GP*UP*GP*(S5)P*AP*CP*AP*C)-3') Authors: Sheng, J, Gan, J, Soares, A, Huang, Z. Deposit date: 2013-01-13 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural insights of non-canonical U*U pair and Hoogsteen interaction probed with Se atom. Nucleic Acids Res., 41, 2013
4IQ4	Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P21212 form Descriptor: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 Authors: Lai, Y.-T, Sawaya, M.R, Yeates, T.O. Deposit date: 2013-01-10 Release date: 2013-07-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.495 Å) Cite: Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly. J.Am.Chem.Soc., 135, 2013
4IRA	CobR in complex with FAD Descriptor: 4-hydroxyphenylacetate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION Authors: Lawrence, A.D, Scott, A.F, Warren, M.J, Pickersgill, R.W. Deposit date: 2013-01-14 Release date: 2014-01-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Biophysical characterisation and structure-function analysis of Brucella melitensis CobR: Protein-flavin interactions determine function and stability To be Published
4IZQ	GGGCATGCCC in the A-DNA Form Descriptor: DNA (5'-D(*GP*GP*GP*CP*AP*TP*GP*CP*CP*C)-3') Authors: Hall, J.P, Ruiz-Morte, S, Murray, C.A, Cardin, C.J. Deposit date: 2013-01-30 Release date: 2014-02-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.04 Å) Cite: GGGCATGCCC in the A-DNA Form To be Published
4ISR	Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II Descriptor: Neurotoxin, SULFATE ION, Synaptotagmin-2 Authors: Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P. Deposit date: 2013-01-17 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II. Structure, 21, 2013
4ITV	Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P212121 form Descriptor: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 Authors: Lai, Y.-T, Sawaya, M.R, Yeates, T.O. Deposit date: 2013-01-18 Release date: 2013-07-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.598 Å) Cite: Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly. J.Am.Chem.Soc., 135, 2013
4ISC	Crystal structure of a putative Methyltransferase from Pseudomonas syringae Descriptor: BETA-MERCAPTOETHANOL, Methyltransferase Authors: Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) Deposit date: 2013-01-16 Release date: 2013-02-20 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (2.78 Å) Cite: Crystal structure of a putative Methyltransferase from Pseudomonas syringae To be Published
4J3H	Ring cycle for dilating and constricting the nuclear pore: structure of a Nup54 homo-tetramer. Descriptor: CALCIUM ION, Nuclear pore complex protein Nup54 Authors: Solmaz, S.R, Blobel, G, Melcak, I. Deposit date: 2013-02-05 Release date: 2013-04-10 Last modified: 2013-04-17 Method: X-RAY DIFFRACTION (1.5002 Å) Cite: Ring cycle for dilating and constricting the nuclear pore. Proc.Natl.Acad.Sci.USA, 110, 2013
4ISQ	Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I Descriptor: GLYCEROL, Neurotoxin, SULFATE ION, ... Authors: Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P. Deposit date: 2013-01-17 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II. Structure, 21, 2013
4IV8	Crystal structure of N-methyl transferase from Plasmodium knowlesi complexed with S-adenosyl methionine Descriptor: BETA-MERCAPTOETHANOL, Phosphoethanolamine N-methyltransferase,putative, S-ADENOSYLMETHIONINE Authors: Lukk, T, Nair, S.K. Deposit date: 2013-01-22 Release date: 2014-02-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Phosphoethanolamine N-methyl transferase is a Malarial drug target. To be Published
4IVJ	Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, I222 form Descriptor: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 Authors: Lai, Y.-T, Sawaya, M.R, Yeates, T.O. Deposit date: 2013-01-23 Release date: 2013-07-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (7.351 Å) Cite: Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly. J.Am.Chem.Soc., 135, 2013
4J0S	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 Authors: Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2013-01-31 Release date: 2013-02-13 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4IYP	structure of the nPP2Ac-alpha4 complex Descriptor: Immunoglobulin-binding protein 1, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform Authors: Jiang, L, Stanevich, V, Satyshur, K.A, Xing, Y. Deposit date: 2013-01-29 Release date: 2013-04-17 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.797 Å) Cite: Structural basis of protein phosphatase 2A stable latency. Nat Commun, 4, 2013
4IZH	Crystal Structure of the Alpha1 dimer of Thermus thermophilus Transhydrogenase in P6 Descriptor: GLYCEROL, NAD/NADP transhydrogenase alpha subunit 1 Authors: Stout, C.D, Yamaguchi, M, Leung, J. Deposit date: 2013-01-29 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains To be Published

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