2HUE
 
 | | Structure of the H3-H4 chaperone Asf1 bound to histones H3 and H4 | | Descriptor: | Anti-silencing protein 1, GLYCEROL, Histone H3, ... | | Authors: | English, C.M, Churchill, M.E.A, Tyler, J.K. | | Deposit date: | 2006-07-26 | | Release date: | 2006-11-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for the histone chaperone activity of asf1.
Cell(Cambridge,Mass.), 127, 2006
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2V2E
 | | Structure of isoniazid (INH) bound to cytochrome c peroxidase mutant N184R Y36A | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
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5NIF
 | | Yeast 20S proteasome in complex with Blm-pep activator | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Witkowska, J, Grudnik, P, Golik, P, Dubin, G, Jankowska, E. | | Deposit date: | 2017-03-23 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism.
Sci Rep, 7, 2017
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7V0I
 | | Crystal structure of a CelR catalytic domain active site mutant with bound cellohexaose substrate | | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
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7UE6
 | | PANK3 complex structure with compound PZ-3802 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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8P44
 | | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D | | Descriptor: | 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | | Authors: | Duchoslav, V, Klima, M, Boura, E. | | Deposit date: | 2023-05-19 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
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6B7C
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.564 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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4ZID
 | | Dimeric Hydrogenobacter thermophilus cytochrome c552 obtained from Escherichia coli | | Descriptor: | Cytochrome c-552, HEME C | | Authors: | Hayashi, Y, Yamanaka, M, Nagao, S, Komori, H, Higuchi, Y, Hirota, S. | | Deposit date: | 2015-04-28 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Domain swapping oligomerization of thermostable c-type cytochrome in E. coli cells
Sci Rep, 6, 2016
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2V9O
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1VYQ
 | | Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design | | Descriptor: | 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | | Authors: | Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S. | | Deposit date: | 2004-05-05 | | Release date: | 2005-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors.
Structure, 13, 2005
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5NKT
 | | FimA wt from E. coli | | Descriptor: | SULFATE ION, Type-1 fimbrial protein, A chain | | Authors: | Zyla, D, Capitani, G, Prota, A, Glockshuber, R. | | Deposit date: | 2017-04-03 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 2019
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6BB4
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5NMN
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1KTI
 | | BINDING OF 100 MM N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUDIES | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-(acetylcarbamoyl)-beta-D-glucopyranosylamine, ... | | Authors: | Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P. | | Deposit date: | 2002-01-16 | | Release date: | 2002-01-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Binding of N-acetyl-N'-beta-D-glucopyranosyl urea and N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
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1SL4
 | | Crystal Structure of DC-SIGN carbohydrate recognition domain complexed with Man4 | | Descriptor: | CALCIUM ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, mDC-SIGN1B type I isoform | | Authors: | Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K. | | Deposit date: | 2004-03-05 | | Release date: | 2004-06-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for distinct ligand-binding and targeting properties of the receptors
DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
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2VI5
 | | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | | Descriptor: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | | Authors: | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | | Deposit date: | 2007-11-27 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
J.Org.Chem., 73, 2008
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5EIS
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-(4-Chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | | Authors: | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | Deposit date: | 2015-10-30 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
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1SOS
 | | ATOMIC STRUCTURES OF WILD-TYPE AND THERMOSTABLE MUTANT RECOMBINANT HUMAN CU, ZN SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | | Authors: | Parge, H.E, Hallewell, R.A, Tainer, J.A. | | Deposit date: | 1992-02-11 | | Release date: | 1993-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic structures of wild-type and thermostable mutant recombinant human Cu,Zn superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 89, 1992
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2HZC
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2OHJ
 | | Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, inactive oxidized state | | Descriptor: | CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Seedorf, H, Warkentin, E, Ermler, U. | | Deposit date: | 2007-01-10 | | Release date: | 2007-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
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4B0Z
 | | Crystal structure of S. pombe Rpn12 | | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN12, GLYCEROL, MONOTHIOGLYCEROL, ... | | Authors: | Boehringer, J, Riedinger, C, Paraskevopoulos, K, Johnson, E.O.D, Lowe, E.D, Khoudian, C, Smith, D, Noble, M.E.M, Gordon, C, Endicott, J.A. | | Deposit date: | 2012-07-06 | | Release date: | 2012-09-12 | | Last modified: | 2012-11-07 | | Method: | X-RAY DIFFRACTION (1.585 Å) | | Cite: | Structural and Functional Characterisation of Rpn12 Identifies Residues Required for Rpn10 Proteasome Incorporation.
Biochem.J., 448, 2012
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1KEK
 | | Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase | | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | | Authors: | Chabriere, E, Vernede, X, Guigliarelli, B, Charon, M.-H, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2001-11-16 | | Release date: | 2001-12-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase.
Science, 294, 2001
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1FFP
 | | CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH PEPTIDE GP33 (C9M/K1S) | | Descriptor: | BETA-2 MICROGLOBULIN BETA CHAIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B, ... | | Authors: | Wang, B, Sharma, A, Maile, R, Saad, M, Collins, E.J, Frelinger, J.A. | | Deposit date: | 2000-07-25 | | Release date: | 2002-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Peptidic termini play a significant role in TCR recognition
J.IMMUNOL., 169, 2002
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1SB3
 | | Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxybenzoyl-CoA reductase alpha subunit, ... | | Authors: | Unciuleac, M, Warkentin, E, Page, C.C, Boll, M, Ermler, U. | | Deposit date: | 2004-02-10 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow.
Structure, 12, 2004
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5TCY
 | | A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni. | | Descriptor: | Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) | | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | | Deposit date: | 2016-09-16 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
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