6JT9
 
 | | Crystal Structure of D464A mutant of FGAM Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | Deposit date: | 2019-04-10 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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8QT6
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8QT9
 | | Cryo-EM structure of stably reduced Streptococcus pneumoniae NADPH oxidase in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dubach, V.R.A, San Segundo-Acosta, P, Murphy, B.J. | | Deposit date: | 2023-10-12 | | Release date: | 2024-07-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | Structural and mechanistic insights into Streptococcus pneumoniae NADPH oxidase.
Nat.Struct.Mol.Biol., 2024
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1ZGW
 | | NMR structure of E. Coli Ada protein in complex with DNA | | Descriptor: | 5'-D(*GP*CP*AP*AP*AP*TP*TP*AP*AP*AP*GP*CP*GP*CP*AP*AP*GP*A)-3', 5'-D(*TP*CP*TP*TP*GP*CP*GP*CP*TP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3', Ada polyprotein, ... | | Authors: | He, C, Hus, J.C, Sun, L.J, Zhou, P, Norman, D.P, Doetsch, V, Wei, H, Gross, J.D, Lane, W.S, Wagner, G, Verdine, G.L. | | Deposit date: | 2005-04-22 | | Release date: | 2005-10-18 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | A Methylation-Dependent Electrostatic Switch Controls DNA Repair and Transcriptional Activation by E. coli Ada.
Mol.Cell, 20, 2005
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2WL5
 | | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348N MUTANT WITH COENZYME A. | | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | | Deposit date: | 2009-06-22 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
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1TYG
 | | Structure of the thiazole synthase/ThiS complex | | Descriptor: | PHOSPHATE ION, Thiazole biosynthesis protein thiG, yjbS | | Authors: | Settembre, E.C, Dorrestein, P.C, Zhai, H, Chatterjee, A, McLafferty, F.W, Begley, T.P, Ealick, S.E. | | Deposit date: | 2004-07-07 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Thiamin Biosynthesis in Bacillus subtilis: Structure of the Thiazole Synthase/Sulfur Carrier Protein Complex
Biochemistry, 43, 2004
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1LOY
 | | X-ray structure of the H40A/E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | | Deposit date: | 2002-05-07 | | Release date: | 2002-08-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
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4LRB
 | | Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate | | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ... | | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | Deposit date: | 2013-07-19 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
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6GNU
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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5MJ4
 | | INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 2 | | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Henderikx, P, Lasters, I, Savvides, S. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | STRUCTURAL BASIS OF IL-23 ANTAGONISM BY AN ALPHABODY PROTEIN
Nature Communications, 5, 2014
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5KBM
 | | Candida Albicans Superoxide Dismutase 5 (SOD5), D113N Mutant | | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-06-03 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.416 Å) | | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
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2IEN
 | | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-19 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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6GOZ
 | | Structure of mEos4b in the green long-lived dark state | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | | Deposit date: | 2018-06-04 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Mechanistic Investigations of Green mEos4b Reveal a Dynamic Long-Lived Dark State.
J.Am.Chem.Soc., 2020
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5MKP
 | | Non redox thiolation in transfer RNAs occuring via sulfur activation by a [4Fe-4S] cluster | | Descriptor: | Fe4 H S5, PH0300, ZINC ION | | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | | Deposit date: | 2016-12-05 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7C6G
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to gentiobiose | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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4XS1
 | | Salmonella typhimurium AhpC T43V mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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4LR8
 | | Phosphopentomutase S154A variant soaked with ribose 5-phosphate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | Deposit date: | 2013-07-19 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
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7C6X
 | | Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (Form I) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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3I7V
 | | Crystal structure of AP4A hydrolase complexed with AP4A (ATP) (aq_158) from Aquifex aeolicus Vf5 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, AP4A hydrolase, ... | | Authors: | Jeyakanthan, J, Kanaujia, S.P, Nakagawa, N, Sekar, K, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-07-09 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Free and ATP-bound structures of Ap(4)A hydrolase from Aquifex aeolicus V5
Acta Crystallogr.,Sect.D, 66, 2010
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313D
 | | Z-DNA HEXAMER WITH 5' OVERHANGS THAT FORM A REVERSE HOOGSTEEN BASE PAIR | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*(5CM)P*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Mooers, B.H.M, Eichman, B.F, Ho, P.S. | | Deposit date: | 1997-02-04 | | Release date: | 1997-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The structures and relative stabilities of d(G x G) reverse Hoogsteen, d(G x T) reverse wobble, and d(G x C) reverse Watson-Crick base-pairs in DNA crystals.
J.Mol.Biol., 269, 1997
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3WJK
 | | Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli | | Descriptor: | Octaprenyl diphosphate synthase | | Authors: | Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H. | | Deposit date: | 2013-10-11 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms.
Proteins, 83, 2015
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2JEM
 | | Native family 12 xyloglucanase from Bacillus licheniformis | | Descriptor: | ENDO-BETA-1,4-GLUCANASE | | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K.S, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | | Deposit date: | 2007-01-18 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12.
J.Biol.Chem., 282, 2007
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3FKY
 | | Crystal structure of the glutamine synthetase Gln1deltaN18 from the yeast Saccharomyces cerevisiae | | Descriptor: | CITRATE ANION, Glutamine synthetase | | Authors: | He, Y.X, Gui, L, Liu, Y.Z, Du, Y, Zhou, Y.Y, Li, P, Zhou, C.Z. | | Deposit date: | 2008-12-18 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of Saccharomyces cerevisiae glutamine synthetase Gln1 suggests a nanotube-like supramolecular assembly
Proteins, 76, 2009
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6H6R
 | | Fragment Derived XIAP inhibitor | | Descriptor: | 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Williams, P.A. | | Deposit date: | 2018-07-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
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