6NTJ
 
 | | Neutron/X-ray crystal structure of AAC-VIa bound to gentamicin C1A | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2019-01-29 | | Release date: | 2019-09-25 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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3AJA
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2A8F
 | | beta-cinnamomin after sterol removal | | Descriptor: | Beta-elicitin cinnamomin | | Authors: | Rodrigues, M.L, Archer, M, Martel, P, Miranda, S, Thomaz, M, Enguita, F.J, Baptista, R.P, Melo, E.P, Sousa, N, Cravador, A, Carrondo, M.A. | | Deposit date: | 2005-07-08 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of the free and sterol-bound forms of beta-cinnamomin
Biochim.Biophys.Acta, 1764, 2006
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7MFB
 | | Crystal structure of antibody 10E8v4 Fab - light chain H31F variant | | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2021-04-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
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3U1N
 | | Structure of the catalytic core of human SAMHD1 | | Descriptor: | PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION | | Authors: | Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A. | | Deposit date: | 2011-09-30 | | Release date: | 2011-11-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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1JPI
 | | Phe232Leu mutant of human UROD, human uroporphyrinogen III decarboxylase | | Descriptor: | UROPORPHYRINOGEN DECARBOXYLASE | | Authors: | Phillips, J.D, Parker, T.L, Schubert, H.L, Whitby, F.G, Hill, C.P, Kushner, J.P. | | Deposit date: | 2001-08-02 | | Release date: | 2001-12-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional consequences of naturally occurring mutations in human uroporphyrinogen decarboxylase.
Blood, 98, 2001
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5HPM
 | | Cetuximab Fab in complex with cyclic linked meditope | | Descriptor: | 2-AMINO-3-MERCAPTO-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5HQW
 | | Crystal structure of a trans-AT PKS dehydratase domain of C0ZGQ6 from Brevibacillus brevis | | Descriptor: | MAGNESIUM ION, Putative polyketide synthase | | Authors: | Jakob, R.P, Hauswirth, P, Dilmi, J, Herbst, D.A, Maier, T. | | Deposit date: | 2016-01-22 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal Structures of Dehydratase Domains from trans AT Polyketide Biosynthetic Pathway.
To Be Published
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5SW4
 | | Crystal structure of native catalase-peroxidase KatG at pH8.0 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-08 | | Release date: | 2016-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases.
EMBO Rep., 6, 2005
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6NP2
 | | AAC-VIa bound to Sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | | Authors: | Kumar, P, Cuneo, M.J. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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2XO0
 | | xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening | | Descriptor: | 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | | Deposit date: | 2010-08-09 | | Release date: | 2011-04-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
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7MF9
 | | Crystal structure of antibody 10E8v4-P100fA Fab in space group C2 | | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2021-04-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
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5SV3
 | | RTA1-33/44-198 (RVEC) bound to Single Domain Antibody A3C8 | | Descriptor: | Anti-Ricin A-chain Single Domain Antibody (sdAb) A3C8, Ricin, SULFATE ION | | Authors: | Compton, J.R, Legler, P.M. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
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4A98
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromoflurazepam | | Descriptor: | 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, CYS-LOOP LIGAND-GATED ION CHANNEL | | Authors: | Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C. | | Deposit date: | 2011-11-24 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2OPO
 | | Crystal structure of the calcium-binding pollen allergen Che a 3 | | Descriptor: | CALCIUM ION, Polcalcin Che a 3, SULFATE ION | | Authors: | Verdino, P, Keller, W. | | Deposit date: | 2007-01-29 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structure of the cross-reactive pollen allergen Che a 3: visualizing cross-reactivity on the molecular surfaces of weed, grass, and tree pollen allergens.
J.Immunol., 180, 2008
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3LLM
 | | Crystal Structure Analysis of a RNA Helicase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, CACODYLATE ION, ... | | Authors: | Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-05-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein.
J.Mol.Biol., 400, 2010
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1LO1
 | | ESTROGEN RELATED RECEPTOR 2 DNA BINDING DOMAIN IN COMPLEX WITH DNA | | Descriptor: | 5'-D(*CP*GP*TP*GP*AP*CP*CP*TP*TP*GP*AP*GP*C)-3', 5'-D(*GP*CP*TP*CP*AP*AP*GP*GP*TP*CP*AP*CP*G)-3', Steroid hormone receptor ERR2, ... | | Authors: | Gearhart, M.D, Holmbeck, S.M.A, Evans, R.M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2002-05-05 | | Release date: | 2003-04-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Monomeric Complex of Human Orphan Estrogen Related Receptor-2 with DNA: A Pseudo-dimer Interface Mediates Extended Half-site Recognition
J.Mol.Biol., 327, 2003
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3TYG
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) | | Descriptor: | Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ... | | Authors: | Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2011-09-25 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
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5SZ8
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6NU6
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | | Descriptor: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ... | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-01-31 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
To Be Published
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1ANV
 | | ADENOVIRUS 5 DBP/URANYL FLUORIDE SOAK | | Descriptor: | ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, URANYL (VI) ION, ZINC ION | | Authors: | Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A. | | Deposit date: | 1996-03-14 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational change of the adenovirus DNA-binding protein induced by soaking crystals with K3UO2F5 solutions.
Acta Crystallogr.,Sect.D, 52, 1996
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2XSL
 | | The crystal structure of a Thermus thermophilus tRNAGly acceptor stem microhelix at 1.6 Angstroem resolution | | Descriptor: | 5'-R(*CP*UP*CP*CP*CP*GP*C)-3', 5'-R(*GP*CP*GP*GP*GP*AP*G)-3' | | Authors: | Oberthuer, D, Eichert, A, Erdmann, V.A, Fuerste, J.P, Betzel, C, Foerster, C. | | Deposit date: | 2010-10-29 | | Release date: | 2011-08-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The Crystal Structure of a Thermus Thermophilus tRNA(Gly) Acceptor Stem Microhelix at 1.6 A Resolution.
Biochem.Biophys.Res.Commun., 404, 2011
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6NVE
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
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2FCZ
 | | HIV-1 DIS kissing-loop in complex with ribostamycin | | Descriptor: | HIV-1 DIS RNA, POTASSIUM ION, RIBOSTAMYCIN | | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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3D0X
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