8RIV
 
 | | T2R-TTL-1-K08 complex | | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | | Deposit date: | 2023-12-19 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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3DGB
 | | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-06-13 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
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5DEY
 | | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2016-06-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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1S2K
 | | Structure of SCP-B a member of the Eqolisin family of Peptidases in a complex with a Tripeptide Ala-Ile-His | | Descriptor: | Ala-Ile-His tripeptide, Scytalidopepsin B, TYROSINE | | Authors: | Fujinaga, M, Cherney, M.M, Oyama, H, Oda, K, James, M.N. | | Deposit date: | 2004-01-08 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular structure and catalytic mechanism of a novel carboxyl peptidase from Scytalidium lignicolum
Proc.Natl.Acad.Sci.USA, 101, 2004
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2QG9
 | | Structure of a regulatory subunit mutant D19A of ATCase from E. coli | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Stec, B, Williams, M.K, Stieglitz, K.A, Kantrowitz, E.R. | | Deposit date: | 2007-06-28 | | Release date: | 2008-02-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors.
Acta Crystallogr.,Sect.D, 63, 2007
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3B8V
 | | Crystal structure of Escherichia coli alaine racemase mutant E221K | | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | | Deposit date: | 2007-11-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
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8RHR
 | | E.coli Peptide Deformylase with bound inhibitor BB4 | | Descriptor: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Kirschner, H, Stoll, R, Hofmann, E. | | Deposit date: | 2023-12-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase.
J.Med.Chem., 67, 2024
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4ZAM
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2A8Q
 | | 2.6 Angstrom Crystal Structure of the Complex Between the Nuclear SnoRNA Decapping Nudix Hydrolase X29 and Manganese in the Presence of 7-methyl-GDP | | Descriptor: | MANGANESE (II) ION, PYROPHOSPHATE 2-, U8 snoRNA-binding protein X29 | | Authors: | Scarsdale, J.N, Peculis, B.A, Wright, H.T. | | Deposit date: | 2005-07-08 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of U8 snoRNA decapping nudix hydrolase, X29, and its metal and cap complexes
Structure, 14, 2006
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1LBL
 | | Crystal structure of indole-3-glycerol phosphate synthase (IGPS) in complex with 1-(o-carboxyphenylamino)-1-deoxyribulose 5'-phosphate (CdRP) | | Descriptor: | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, indole-3-glycerol phosphate synthase | | Authors: | Hennig, M, Darimont, B.D, Kirschner, K, Jansonius, J.N. | | Deposit date: | 2002-04-04 | | Release date: | 2002-09-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The catalytic mechanism of indole-3-glycerol phosphate synthase: Crystal structures of complexes of the enzyme from Sulfolobus solfataricus with the substrate analogue, substrate, and product
J.Mol.Biol., 319, 2002
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5I9J
 | | Structure of the cholesterol and lutein-binding domain of human STARD3 at 1.74A | | Descriptor: | 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, SULFATE ION, ... | | Authors: | Horvath, M.P, Bernstein, P.S, Li, B, George, E.W, Tran, Q.T. | | Deposit date: | 2016-02-20 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure of the lutein-binding domain of human StARD3 at 1.74 angstrom resolution and model of a complex with lutein.
Acta Crystallogr.,Sect.F, 72, 2016
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2AD7
 | | crystal structure of methanol dehydrogenase from M. W3A1 (form C) in the presence of methanol | | Descriptor: | CALCIUM ION, Methanol dehydrogenase subunit 1, Methanol dehydrogenase subunit 2, ... | | Authors: | Li, J, Gan, J.-H, Xia, Z.-X, Mathews, F.S. | | Deposit date: | 2005-07-20 | | Release date: | 2006-07-25 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The enzymatic reaction-induced configuration change of the prosthetic group PQQ of methanol dehydrogenase
Biochem.Biophys.Res.Commun., 406, 2011
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6ZQQ
 | | Structure of the Pmt3-MIR domain with bound ligands | | Descriptor: | GLYCEROL, PMT3 isoform 1 | | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | Deposit date: | 2020-07-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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2XJR
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D2-D3) | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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1LFY
 | | OXY HEMOGLOBIN (84% RELATIVE HUMIDITY) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Biswal, B.K, Vijayan, M. | | Deposit date: | 2002-04-12 | | Release date: | 2002-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state.
Acta Crystallogr.,Sect.D, 58, 2002
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6QQN
 | | Tubulin-TH588 complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B. | | Deposit date: | 2019-02-18 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells.
Cell Syst, 9, 2019
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1LFT
 | | OXY HEMOGLOBIN (90% RELATIVE HUMIDITY) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Biswal, B.K, Vijayan, M. | | Deposit date: | 2002-04-12 | | Release date: | 2002-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state.
Acta Crystallogr.,Sect.D, 58, 2002
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5SW3
 | | Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | | Descriptor: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Heine, A, Klebe, G. | | Deposit date: | 2016-08-08 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
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1S89
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1NND
 | | Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase | | Descriptor: | Reverse Transcriptase | | Authors: | Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M. | | Deposit date: | 2003-01-13 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase
Proteins, 57, 2004
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1NPS
 | | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF PROTEIN S | | Descriptor: | CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S | | Authors: | Wenk, M, Baumgartner, R, Mayer, E.M, Huber, R, Holak, T.A, Jaenicke, R. | | Deposit date: | 1999-02-01 | | Release date: | 2000-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The domains of protein S from Myxococcus xanthus: structure, stability and interactions.
J.Mol.Biol., 286, 1999
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2QFN
 | | X-ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned from Amphitrite ornata | | Descriptor: | AMMONIUM ION, Dehaloperoxidase A, OXYGEN MOLECULE, ... | | Authors: | de Serrano, V, Chen, Z, Davis, M.F, Franzen, S. | | Deposit date: | 2007-06-27 | | Release date: | 2008-05-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | X-ray crystal structural analysis of the binding site in the ferric and oxyferrous forms of the recombinant heme dehaloperoxidase cloned from Amphitrite ornata
Acta Crystallogr.,Sect.D, 63, 2007
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5V79
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide | | Descriptor: | 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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8B7B
 | | Tubulin - maytansinoid - 6 complex | | Descriptor: | (~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D. | | Deposit date: | 2022-09-29 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
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8B7A
 | | Tubulin - maytansinoid - 4 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, F.J, Steinmetz, M.O, Prota, A.E, Piaraccini, S, Passarella, D. | | Deposit date: | 2022-09-29 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
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