1XOG
 
 | | N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... | | Authors: | Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
|
|
6U9P
 | | Wild-type MthK pore in ~150 mM K+ | | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | | Authors: | Posson, D.J, Nimigean, C.M. | | Deposit date: | 2019-09-09 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
2XEL
 | | Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity | | Descriptor: | 2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL, ADP METAVANADATE, MAGNESIUM ION, ... | | Authors: | Chinthalapudi, K, Taft, M.H, Martin, R, Hartmann, F.K, Heissler, S.M, Tsiavaliaris, G, Gutzeit, H.O, Knoelker, H.J, Coluccio, L.M, Fedorov, R, Manstein, D.J. | | Deposit date: | 2010-05-16 | | Release date: | 2011-06-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism and Specificity of Pentachloropseudilin-Mediated Inhibition of Myosin Motor Activity.
J.Biol.Chem., 286, 2011
|
|
3IPU
 | | X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha | | Descriptor: | 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
|
|
6U7X
 | | NMR solution structure of triazole bridged plasmin inhibitor | | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP | | Authors: | White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2020-07-15 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
2YLA
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
1EYO
 | |
2YOO
 | | Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... | | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | | Deposit date: | 2012-10-25 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
|
|
1XGA
 | |
2Y74
 | | THE CRYSTAL STRUCTURE OF HUMAN SOLUBLE PRIMARY AMINE OXIDASE AOC3 IN THE OFF-COPPER CONFORMATION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | | Deposit date: | 2011-01-28 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
|
|
1Y9H
 | | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
|
|
1B4C
 | | SOLUTION STRUCTURE OF RAT APO-S100B USING DIPOLAR COUPLINGS | | Descriptor: | PROTEIN (S-100 PROTEIN, BETA CHAIN) | | Authors: | Weber, D.J, Drohat, A.C, Tjandra, N, Baldisseri, D.M. | | Deposit date: | 1998-12-17 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The use of dipolar couplings for determining the solution structure of rat apo-S100B(betabeta).
Protein Sci., 8, 1999
|
|
4KSA
 | | Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127 | | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-17 | | Release date: | 2013-06-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
|
|
1AR9
 | | P1/MAHONEY POLIOVIRUS, SINGLE SITE MUTANT H2142Y | | Descriptor: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | | Authors: | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | | Deposit date: | 1997-08-11 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
|
|
1Y27
 | | G-riboswitch-guanine complex | | Descriptor: | Bacillus subtilis xpt, GUANINE | | Authors: | Serganov, A, Yuan, Y.R, Patel, D.J. | | Deposit date: | 2004-11-20 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
|
|
1UMP
 | |
1NOS
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
|
|
1NOC
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
|
|
1UTC
 | | Clathrin terminal domain complexed with TLPWDLWTT | | Descriptor: | AMPHIPHYSIN, CLATHRIN HEAVY CHAIN | | Authors: | Miele, A.E, Evans, P.R, Owen, D.J. | | Deposit date: | 2003-12-08 | | Release date: | 2004-02-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Two distinct interaction motifs in amphiphysin bind two independent sites on the clathrin terminal domain beta-propeller.
Nat. Struct. Mol. Biol., 11, 2004
|
|
2Y9E
 | | Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 | | Descriptor: | MYOSIN-2 | | Authors: | Preller, M, Bauer, S, Adamek, N, Fujita-Becker, S, Fedorov, R, Geeves, M.A, Manstein, D.J. | | Deposit date: | 2011-02-14 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.397 Å) | | Cite: | Structural Basis for the Allosteric Interference of Myosin Function by Reactive Thiol Region Mutations G680A and G680V.
J.Biol.Chem., 286, 2011
|
|
1Y26
 | | A-riboswitch-adenine complex | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus A-riboswitch | | Authors: | Serganov, A, Yuan, Y.R, Patel, D.J. | | Deposit date: | 2004-11-20 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
|
|
1DDV
 | | CRYSTAL STRUCTURE OF THE HOMER EVH1 DOMAIN WITH BOUND MGLUR PEPTIDE | | Descriptor: | GLGF-DOMAIN PROTEIN HOMER, METABOTROPIC GLUTAMATE RECEPTOR MGLUR5 | | Authors: | Beneken, J, Tu, J.C, Xiao, B, Worley, P.F, Leahy, D.J. | | Deposit date: | 1999-11-11 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Homer EVH1 domain-peptide complex reveals a new twist in polyproline recognition.
Neuron, 26, 2000
|
|
1YKQ
 | | Crystal structure of Diels-Alder ribozyme | | Descriptor: | CADMIUM ION, Diels-Alder ribozyme, MAGNESIUM ION | | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | | Deposit date: | 2005-01-18 | | Release date: | 2005-02-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
|
|
1YKV
 | | Crystal structure of the Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene | | Descriptor: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, Diels-Alder ribozyme, MAGNESIUM ION | | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | | Deposit date: | 2005-01-18 | | Release date: | 2005-02-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
|
|
1YLS
 | | Crystal structure of selenium-modified Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene | | Descriptor: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, MAGNESIUM ION, RNA Diels-Alder ribozyme | | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | | Deposit date: | 2005-01-19 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
|
|
