6NZH
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6HWH
| Structure of a functional obligate respiratory supercomplex from Mycobacterium smegmatis | Descriptor: | CARDIOLIPIN, COPPER (II) ION, Co-purified unknown peptide built as polyALA, ... | Authors: | Wiseman, B, Nitharwal, R.G, Fedotovskaya, O, Schafer, J, Guo, H, Kuang, Q, Benlekbir, S, Sjostrand, D, Adelroth, P, Rubinstein, J.L, Brzezinski, P, Hogbom, M. | Deposit date: | 2018-10-12 | Release date: | 2018-11-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a functional obligate complex III2IV2respiratory supercomplex from Mycobacterium smegmatis. Nat. Struct. Mol. Biol., 25, 2018
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2M0V
| Complex structure of C-terminal CFTR peptide and extended PDZ2 domain from NHERF1 | Descriptor: | C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z. | Deposit date: | 2012-11-06 | Release date: | 2013-04-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1. J.Mol.Biol., 425, 2013
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2M0T
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5XUB
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3BFM
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2UAG
| UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), ... | Authors: | Bertrand, J, Fanchon, E, Dideberg, O. | Deposit date: | 1999-02-23 | Release date: | 2000-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J.Mol.Biol., 289, 1999
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4HFB
| The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant (Apo) | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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2AMA
| Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION | Authors: | Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R. | Deposit date: | 2005-08-09 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity. Protein Sci., 15, 2006
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4HFC
| The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to 2-bromo-ethanol | Descriptor: | 2-BROMOETHANOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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2FYH
| Solution structure of the 2'-5' RNA ligase-like protein from Pyrococcus furiosus | Descriptor: | putative integral membrane transport protein | Authors: | Okada, K, Matsuda, T, Sakamoto, T, Muto, Y, Yokoyama, S, Kanai, A, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-08 | Release date: | 2007-02-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Characterization of a heat-stable enzyme possessing GTP-dependent RNA ligase activity from a hyperthermophilic archaeon, Pyrococcus furiosus Rna, 15, 2009
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2XNU
| Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | Descriptor: | 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | Deposit date: | 2010-08-06 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors. Bioorg.Med.Chem., 19, 2011
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1PNJ
| SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | Authors: | Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D. | Deposit date: | 1993-07-19 | Release date: | 1993-10-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase. Cell(Cambridge,Mass.), 73, 1993
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1YCJ
| Crystal structure of the kainate receptor GluR5 ligand-binding core in complex with (S)-glutamate | Descriptor: | GLUTAMIC ACID, Ionotropic glutamate receptor 5, SULFATE ION | Authors: | Naur, P, Vestergaard, B, Skov, L.K, Egebjerg, J, Gajhede, M, Kastrup, J.S. | Deposit date: | 2004-12-22 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the kainate receptor GluR5 ligand-binding core in complex with (S)-glutamate Febs Lett., 579, 2005
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1FTM
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1KOI
| CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH NITRIC OXIDE AT 1.08 A RESOLUTION | Descriptor: | NITRIC OXIDE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roberts, S.A, Weichsel, A, Qiu, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R. | Deposit date: | 2001-05-03 | Release date: | 2002-01-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4. Biochemistry, 40, 2001
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2PNI
| SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | Authors: | Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D. | Deposit date: | 1993-07-19 | Release date: | 1993-10-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase. Cell(Cambridge,Mass.), 73, 1993
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1XQC
| X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution | Descriptor: | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL, Estrogen receptor | Authors: | Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P. | Deposit date: | 2004-10-12 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 48, 2005
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3MJ5
| Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease Inhibitors: Design, Synthesis, Protein-Ligand X-ray Structure and Biological Evaluation | Descriptor: | N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Replicase polyprotein 1a, ZINC ION | Authors: | Mesecar, A.D, Ratia, K.M, Pegan, S.D. | Deposit date: | 2010-04-12 | Release date: | 2010-06-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors: design, synthesis, protein-ligand X-ray structure and biological evaluation J.Med.Chem., 53, 2010
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5TWO
| Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selectively PPAR gamma-modulating ligand VSP-51 | Descriptor: | N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide, PRO-SER-LEU-LEU-LYS-LYS-LEU-LEU-LEU-ALA-PRO, Peroxisome proliferator-activated receptor gamma | Authors: | Yi, W, Shi, J, Zhao, G, Zhou, X.E, Suino-Powell, K, Melcher, K, Xu, H.E. | Deposit date: | 2016-11-14 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.927 Å) | Cite: | Identification of a novel selective PPAR gamma ligand with a unique binding mode and improved therapeutic profile in vitro. Sci Rep, 7, 2017
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2LAO
| THREE-DIMENSIONAL STRUCTURES OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN WITH AND WITHOUT A LIGAND | Descriptor: | LYSINE, ARGININE, ORNITHINE-BINDING PROTEIN | Authors: | Kim, S.-H, Oh, B.-H, Kang, C.-H. | Deposit date: | 1993-02-25 | Release date: | 1994-06-22 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-dimensional structures of the periplasmic lysine/arginine/ornithine-binding protein with and without a ligand. J.Biol.Chem., 268, 1993
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4HFD
| The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to bromoform | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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1RPI
| Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | Descriptor: | alpha-D-glucopyranose, protease | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2003-12-03 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity. J.Virol., 78, 2004
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2XNT
| Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | Descriptor: | (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE, BROMIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | Deposit date: | 2010-08-06 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors. Bioorg.Med.Chem., 19, 2011
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2XNV
| Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | Descriptor: | 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | Deposit date: | 2010-08-06 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors. Bioorg.Med.Chem., 19, 2011
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