PDB: 92869 resultsInfo pagesStatus searchChemie searchBIRD

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1RD4	An allosteric inhibitor of LFA-1 bound to its I-domain Descriptor: 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L Authors: Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A. Deposit date: 2003-11-05 Release date: 2004-03-30 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry Biochemistry, 43, 2004
4K5A	Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W Descriptor: Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12 Authors: Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. Deposit date: 2013-04-14 Release date: 2014-04-16 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
5VIH	Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-fluorophenyl-ACEPC Descriptor: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCINE, ... Authors: Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. Deposit date: 2017-04-16 Release date: 2017-04-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2HAS	Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol Descriptor: 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor Authors: Hourai, S, Rochel, N, Moras, D. Deposit date: 2006-06-13 Release date: 2006-08-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
2HB8	Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol Descriptor: 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3, Vitamin D3 receptor Authors: Hourai, S, Rochel, N, Moras, D. Deposit date: 2006-06-14 Release date: 2006-08-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
1MF0	Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with AMP, GDP, HPO4(2-), and Mg(2+) Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. Deposit date: 2002-08-09 Release date: 2002-10-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
5VIJ	Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-bromophenyl-ACEPC Descriptor: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... Authors: Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. Deposit date: 2017-04-16 Release date: 2017-04-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.105 Å) Cite: Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FIT	FHIT-SUBSTRATE ANALOG Descriptor: FRAGILE HISTIDINE TRIAD PROTEIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER Authors: Lima, C.D, Klein, M.G, Hendrickson, W.A. Deposit date: 1997-09-25 Release date: 1998-03-25 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-based analysis of catalysis and substrate definition in the HIT protein family. Science, 278, 1997
2QTG	Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin Descriptor: 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase Authors: Siu, K.K.W, Howell, P.L. Deposit date: 2007-08-02 Release date: 2008-04-01 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases. J.Mol.Biol., 378, 2008
2UYD	Crystal structure of the SmHasA mutant H83A Descriptor: ACETATE ION, HEMOPHORE HASA, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Czjzek, M, Caillet-Saguy, C, Fournelle, A, Guigliarelli, B, Izadi-Pruneyre, N, Lecroisey, A. Deposit date: 2007-04-04 Release date: 2007-12-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Deciphering the Structural Role of Histidine 83 for Heme Binding in Hemophore Hasa. J.Biol.Chem., 283, 2008
5VII	Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-(3-fluoropropyl)phenyl-ACEPC Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... Authors: Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. Deposit date: 2017-04-16 Release date: 2017-04-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.951 Å) Cite: Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2HAM	Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol Descriptor: 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor Authors: Hourai, S, Rochel, N, Moras, D. Deposit date: 2006-06-13 Release date: 2006-08-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
2HAR	Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol Descriptor: 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor Authors: Hourai, S, Rochel, N, Moras, D. Deposit date: 2006-06-13 Release date: 2006-08-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
2Y57	Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4) Descriptor: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... Authors: Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. Deposit date: 2011-01-12 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
3M5Q	0.93 A Structure of Manganese-Bound Manganese Peroxidase Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... Authors: Sundaramoorthy, M, Gold, M.H, Poulos, T.L. Deposit date: 2010-03-12 Release date: 2010-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (0.93 Å) Cite: Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism. J.Inorg.Biochem., 104, 2010
2Y54	Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1) Descriptor: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... Authors: Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. Deposit date: 2011-01-12 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.65 Å) Cite: Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
2Y56	Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3) Descriptor: CHLORIDE ION, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... Authors: Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. Deposit date: 2011-01-12 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.59 Å) Cite: Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
2GGL	The mutant A222C of Agrobacterium radiobacter N-carbamoyl-D-amino acid amidohydrolase Descriptor: N-carbamoyl-D-amino acid amidohydrolase Authors: Wang, W.C, Chiu, W.C, You, J.Y. Deposit date: 2006-03-24 Release date: 2006-04-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-Stability-Activity Relationship in Covalently Cross-linked N-Carbamoyl d-Amino acid Amidohydrolase and N-Acylamino acid Racemase. J.Mol.Biol., 359, 2006
3M8M	1.05 A Structure of Manganese-free Manganese Peroxidase Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... Authors: Sundaramoorthy, M, Gold, M.H, Poulos, T.L. Deposit date: 2010-03-18 Release date: 2010-04-14 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism. J.Inorg.Biochem., 104, 2010
3C6O	Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling Descriptor: (2S)-2-(1H-indol-3-yl)hexanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ... Authors: Tan, X. Deposit date: 2008-02-04 Release date: 2008-04-22 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling. Proc.Natl.Acad.Sci.Usa, 105, 2008
2HB7	Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol Descriptor: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor Authors: Hourai, S, Rochel, N, Moras, D. Deposit date: 2006-06-14 Release date: 2006-08-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
5IJX	Crystal Structure of a C-terminally truncated Coccidioides posadasii mitochondrial tyrosyl-tRNA synthetase Descriptor: TYROSINE, Tyrosine--tRNA ligase, mitochondrial Authors: Lamech, L.T, Lambowitz, A.M. Deposit date: 2016-03-02 Release date: 2016-04-06 Last modified: 2020-03-04 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Crystal Structure of a C-terminally truncated Coccidioides posadasii mitochondrial tyrosyl-tRNA synthetase To be published
4OYX	Human solAC Complexed with AMPCPP Descriptor: Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ... Authors: Vinkovic, M. Deposit date: 2014-02-13 Release date: 2014-04-02 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
2ZLA	2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure Descriptor: (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor Authors: Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N. Deposit date: 2008-04-04 Release date: 2008-06-24 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure Bioorg.Med.Chem., 16, 2008
5E5F	X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6] Descriptor: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ... Authors: Merlino, A. Deposit date: 2015-10-08 Release date: 2015-12-09 Last modified: 2019-11-20 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015

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