7ZUI
 
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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2OV4
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2GCB
 | | G51S/S52T double mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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8OV6
 | | Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | | Deposit date: | 2023-04-25 | | Release date: | 2023-05-17 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
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2X3T
 | | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-06-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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1Z89
 | | Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | | Descriptor: | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G. | | Deposit date: | 2005-03-30 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
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3KT3
 | | Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with TrpAMP | | Descriptor: | SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase, ... | | Authors: | Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
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3H58
 | | Myoglobin Cavity Mutant H64LV68N Met form | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Soman, J, Olson, J.S. | | Deposit date: | 2009-04-21 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Optical detection of disordered water within a protein cavity.
J.Am.Chem.Soc., 131, 2009
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8U14
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A lysine 15 in complex with RNF168-UbcH5c (class 2) | | Descriptor: | DNA (146-MER), DNA (147-MER), E3 ubiquitin-protein ligase RNF168, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-30 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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4QJR
 | | Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution | | Descriptor: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1DDV
 | | CRYSTAL STRUCTURE OF THE HOMER EVH1 DOMAIN WITH BOUND MGLUR PEPTIDE | | Descriptor: | GLGF-DOMAIN PROTEIN HOMER, METABOTROPIC GLUTAMATE RECEPTOR MGLUR5 | | Authors: | Beneken, J, Tu, J.C, Xiao, B, Worley, P.F, Leahy, D.J. | | Deposit date: | 1999-11-11 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Homer EVH1 domain-peptide complex reveals a new twist in polyproline recognition.
Neuron, 26, 2000
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6I9Y
 | | The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2018-11-26 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis.
Acs Med.Chem.Lett., 10, 2019
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5X8D
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6OG0
 | | Structure of Aedes aegypti OBP22 | | Descriptor: | AAEL005772-PA, CADMIUM ION, CHLORIDE ION | | Authors: | Jones, D.N, Wang, J. | | Deposit date: | 2019-04-01 | | Release date: | 2019-04-17 | | Last modified: | 2020-05-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
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6OKD
 | | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Finton, K.A.K, Rupert, P.B, Strong, R.K. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
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5AVL
 | | Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b | | Descriptor: | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha | | Authors: | Matsui, Y, Hanzawa, H, Tamaki, K. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
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7A0Z
 | | LppS with covalent adduct derived from 1b | | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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6OJD
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1A95
 | | XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE | | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, GUANINE, ... | | Authors: | Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. | | Deposit date: | 1998-04-16 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
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6OPU
 | | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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5MLK
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3H57
 | | Myoglobin Cavity Mutant H64LV68N Deoxy form | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Soman, J, Olson, J.S. | | Deposit date: | 2009-04-21 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optical detection of disordered water within a protein cavity.
J.Am.Chem.Soc., 131, 2009
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6MA6
 | | Human CYP3A4 bound to an inhibitor metyrapone | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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5X8J
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4QQD
 | | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-08-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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