5C25
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor | | Descriptor: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | Authors: | Chan, A.H, Frey, K.M, Anderson, K.S. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
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1NFK
 | | STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER | | Descriptor: | DNA (5'-D(*TP*GP*GP*GP*AP*AP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB)) | | Authors: | Ghosh, G, Van Duyne, G, Ghosh, S, Sigler, P.B. | | Deposit date: | 1995-02-28 | | Release date: | 1996-12-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of NF-kappa B p50 homodimer bound to a kappa B site.
Nature, 373, 1995
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2DKB
 | | DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES | | Descriptor: | 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Toney, M.D, Hohenester, E, Jansonius, J.N. | | Deposit date: | 1994-07-12 | | Release date: | 1994-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites.
Science, 261, 1993
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4HR5
 | | R2-like ligand-binding oxidase without metal cofactor | | Descriptor: | PALMITIC ACID, Ribonuleotide reductase small subunit | | Authors: | Griese, J.J, Hogbom, M. | | Deposit date: | 2012-10-26 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein
Proc.Natl.Acad.Sci.USA, 110, 2013
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5C2G
 | | GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (CABP-bound). | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, Form II RubisCO, MAGNESIUM ION | | Authors: | Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R. | | Deposit date: | 2015-06-15 | | Release date: | 2015-12-16 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria.
Environ.Microbiol., 18, 2016
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3FJI
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5FBG
 | | S1 nuclease from Aspergillus oryzae, mutant D65N, in complex with phosphate, 2'-deoxycytidine and 2'-deoxyguanosine. | | Descriptor: | 2'-DEOXY-GUANOSINE, 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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7KUT
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate) | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-11-25 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
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4LWA
 | | Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane | | Descriptor: | 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ... | | Authors: | Holden, J.K, Li, H, Poulos, T.P. | | Deposit date: | 2013-07-26 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7QG7
 | | SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | | Authors: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
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7KGM
 | | C. rodentium YcbB - ertapenem complex | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein | | Authors: | Caveney, N.A, Strynadka, N.C.J. | | Deposit date: | 2020-10-17 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections.
Antimicrob.Agents Chemother., 65, 2021
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4HSH
 | | tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
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5FZ1
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 2,4-dichloro-N-pyridin-3-ylbenzamide (E48115b) (ligand modelled based on PANDDA event map) | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dichloro-N-(pyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-10 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with E48115B
To be Published
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7KJH
 | | Plasmodium falciparum protein Pf12p bound to nanobody B9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Nanobody B9, ... | | Authors: | Dietrich, M.H, Tham, W.H. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nanobody generation and structural characterization of Plasmodium falciparum 6-cysteine protein Pf12p.
Biochem.J., 478, 2021
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4LX9
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1NLA
 | | Solution Structure of Switch Arc, a Mutant with 3(10) Helices Replacing a Wild-Type Beta-Ribbon | | Descriptor: | Transcriptional repressor arc | | Authors: | Cordes, M.H, Walsh, N.P, McKnight, C.J, Sauer, R.T. | | Deposit date: | 2003-01-06 | | Release date: | 2003-03-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Switch Arc, a mutant with 3(10) helices replacing a wild-type beta-ribbon
J.Mol.Biol., 326, 2003
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2DL2
 | | KILLER IMMUNOGLOBULIN RECEPTOR 2DL2 | | Descriptor: | PROTEIN (MHC CLASS I NK CELL RECEPTOR PRECURSOR (P58 NATURAL KILLER CELL RECEPTOR CLONE CL-43)) | | Authors: | Sun, P, Snyder, G. | | Deposit date: | 1999-03-08 | | Release date: | 1999-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the HLA-Cw3 allotype-specific killer cell inhibitory receptor KIR2DL2
Proc.Natl.Acad.Sci.USA, 96, 1999
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2DHT
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3ADC
 | | Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 2) | | Descriptor: | L-seryl-tRNA(Sec) kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Itoh, Y, Chiba, S, Sekine, S, Yokoyama, S. | | Deposit date: | 2010-01-18 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for the Major Role of O-Phosphoseryl-tRNA Kinase in the UGA-Specific Encoding of Selenocysteine
Mol.Cell, 39, 2010
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5FIG
 | | APO-CSP3 (COPPER STORAGE PROTEIN 3) FROM BACILLUS SUBTILIS | | Descriptor: | CSP3 | | Authors: | Vita, N, Landolfi, G, Basle, A, Platsaki, S, Waldron, K, Dennison, C. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bacterial cytosolic proteins with a high capacity for Cu(I) that protect against copper toxicity.
Sci Rep, 6, 2016
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7Q97
 | | Structure of the bacterial type VI secretion system effector RhsA. | | Descriptor: | Rhs family protein | | Authors: | Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
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7L0V
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4HXT
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR329 | | Descriptor: | De Novo Protein OR329 | | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, X, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-11-12 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
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7KMS
 | | Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-03 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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5CIC
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