3IES
 
 | | Firefly luciferase inhibitor complex | | Descriptor: | 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase | | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | | Deposit date: | 2009-07-23 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3IVQ
 | | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-CiSBC2 | | Descriptor: | CiSBC2, Speckle-type POZ protein | | Authors: | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | | Deposit date: | 2009-09-01 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases.
Mol.Cell, 36, 2009
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8EW8
 | | Crystal structure of Saccharomyces cerevisiae Altered Inheritance rate of Mitochondria protein 18 (AIM18p) R123A mutant | | Descriptor: | Altered inheritance of mitochondria protein 18, mitochondrial, SULFATE ION | | Authors: | Bingman, C.A, Schmitz, J.M, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Aim18p and Aim46p are chalcone isomerase domain-containing mitochondrial hemoproteins in Saccharomyces cerevisiae.
J.Biol.Chem., 299, 2023
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8EW9
 | | Crystal structure of Saccharomyces cerevisiae Altered Inheritance rate of Mitochondria protein 46 (AIM46p) | | Descriptor: | 2-OXOGLUTARIC ACID, Altered inheritance of mitochondria protein 46, mitochondrial | | Authors: | Bingman, C.A, Schmitz, J.M, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2022-10-21 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aim18p and Aim46p are chalcone isomerase domain-containing mitochondrial hemoproteins in Saccharomyces cerevisiae.
J.Biol.Chem., 299, 2023
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1B6Y
 | | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE ADENINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 2 STRUCTURES | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | | Authors: | Korobka, A, Cullinan, D, Cosman, M, Grollman, A.P, Patel, D.J, Eisenberg, M, De Los Santos, C. | | Deposit date: | 1999-01-19 | | Release date: | 1999-01-27 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyadenosine, determined by NMR spectroscopy and restrained molecular dynamics.
Biochemistry, 35, 1996
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7NGH
 | | Structure of glutamate transporter homologue in complex with Sybody | | Descriptor: | ASPARTIC ACID, Proton/glutamate symporter, SDF family, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2021-02-09 | | Release date: | 2021-09-15 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Kinetic mechanism of Na + -coupled aspartate transport catalyzed by Glt Tk .
Commun Biol, 4, 2021
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8EQZ
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | | Deposit date: | 2022-10-11 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
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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
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1BKF
 | | FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506 | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Itoh, S, Decenzo, M.T, Livingston, D.J, Pearlman, D.A, Navia, M.A. | | Deposit date: | 1995-10-18 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants
Bioorg.Med.Chem.Lett., 5, 1995
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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
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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
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1YN3
 | | Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens | | Descriptor: | truncated cell surface protein map-w | | Authors: | Geisbrecht, B.V, Hamaoka, B.Y, Perman, B, Zemla, A, Leahy, D.J. | | Deposit date: | 2005-01-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens.
J.Biol.Chem., 280, 2005
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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
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1YN4
 | | Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens | | Descriptor: | EapH1, ZINC ION | | Authors: | Geisbrecht, B.V, Hamaoka, B.Y, Perman, B, Zemla, A, Leahy, D.J. | | Deposit date: | 2005-01-23 | | Release date: | 2005-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens.
J.Biol.Chem., 280, 2005
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1YTP
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3IYB
 | | Poliovirus early RNA-release intermediate | | Descriptor: | Genome polyprotein, Precursor polyprotein, VP1 core | | Authors: | Levy, H.C, Bostina, M, Filman, D.J, Hogle, J.M. | | Deposit date: | 2009-07-21 | | Release date: | 2010-03-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Catching a virus in the act of RNA release: a novel poliovirus uncoating intermediate characterized by cryo-electron microscopy.
J.Virol., 84, 2010
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1BXX
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7N00
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 648-1025 in complex with AUG-alpha | | Descriptor: | ALK and LTK ligand 2, ALK tyrosine kinase receptor | | Authors: | Reshetnyak, A.V, Myasnikov, A.G, Rossi, P, Miller, D.J, Kalodimos, C.G. | | Deposit date: | 2021-05-24 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
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7MZY
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986 | | Descriptor: | ACETATE ION, ALK tyrosine kinase receptor | | Authors: | Reshetnyak, A.V, Sowaileh, M, Miller, D.J, Rossi, P, Myasnikov, A.G, Kalodimos, C.G. | | Deposit date: | 2021-05-24 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
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3IER
 | | Firefly luciferase apo structure (P41 form) with PEG 400 bound | | Descriptor: | Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | | Deposit date: | 2009-07-23 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4PE7
 | | Crystal Structure of Calcium-loaded S100B bound to SC1982 | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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1BS9
 | | ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS | | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | | Deposit date: | 1998-09-01 | | Release date: | 1999-05-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
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7NIT
 | | X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum | | Descriptor: | Beta-galactosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
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1BW8
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1WB0
 | | specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase | | Descriptor: | ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ... | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | | Deposit date: | 2004-10-29 | | Release date: | 2005-01-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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