1ICR
 
 | | THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | | Deposit date: | 2001-04-02 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution.
J.Mol.Biol., 309, 2001
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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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4BUL
 | | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
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7ZOZ
 | | Crystal structure of Siglec-15 in complex with Fab | | Descriptor: | Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15 | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
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7ZOR
 | | Crystal structure of anti-Siglec-15 Fab | | Descriptor: | Anti-siglec15 FAB HC, Anti-siglec15 FAB LC | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.933 Å) | | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
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2V24
 | | Structure of the human SPRY domain-containing SOCS box protein SSB-4 | | Descriptor: | NICKEL (II) ION, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 4 | | Authors: | Uppenberg, J, Bullock, A, Keates, T, Savitsky, P, Pike, A.C.W, Ugochukwu, E, Bunkoczi, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-05-31 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Par-4 Recognition by the Spry Domain-and Socs Box-Containing Proteins Spsb1, Spsb2, and Spsb4.
J.Mol.Biol., 401, 2010
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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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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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2O86
 | | Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-12-12 | | Release date: | 2006-12-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution
To be Published
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4C8E
 | | IspF (Burkholderia cenocepacia) 2CMP complex | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | | Deposit date: | 2013-09-30 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment.
Bmc Struct.Biol., 14, 2014
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5ZHJ
 | | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2VG9
 | | Crystal structure of Loop Swap mutant of Necallimastix patriciarum Xyn11A | | Descriptor: | ACETATE ION, BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A, CADMIUM ION | | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | | Deposit date: | 2007-11-09 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases.
J.Mol.Biol., 375, 2008
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2UZ9
 | | Human guanine deaminase (guaD) in complex with zinc and its product Xanthine. | | Descriptor: | GUANINE DEAMINASE, XANTHINE, ZINC ION | | Authors: | Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-26 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine
To be Published
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1P6R
 | | Solution structure of the DNA binding domain of the repressor BlaI. | | Descriptor: | Penicillinase repressor | | Authors: | Melckebeke, H.V, Vreuls, C, Gans, P, Llabres, G, Filee, P, Joris, B, Simorre, J.P. | | Deposit date: | 2003-04-30 | | Release date: | 2003-12-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structural study of BlaI: implications for the repression of genes involved in beta-lactam antibiotic resistance.
J.Mol.Biol., 333, 2003
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3N2W
 | | Crystal structure of the N-terminal beta-aminopeptidase BapA from Sphingosinicella xenopeptidilytica | | Descriptor: | Beta-peptidyl aminopeptidase, GLYCEROL, SULFATE ION | | Authors: | Merz, T, Heck, T, Geueke, B, Kohler, H.-P, Gruetter, M.G. | | Deposit date: | 2010-05-19 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Autoproteolytic and catalytic mechanisms for the beta-aminopeptidase BapA--a member of the Ntn hydrolase family.
Structure, 20, 2012
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6S9Q
 | | Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-07-15 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6S9W
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1W9M
 | | AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal | | Descriptor: | FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER | | Authors: | Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F. | | Deposit date: | 2004-10-14 | | Release date: | 2005-02-04 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution
Acta Crystallogr.,Sect.D, 64, 2008
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7JZ4
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3MVY
 | | X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation | | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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1VLN
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4CC6
 | | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | | Descriptor: | 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION | | Authors: | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | | Deposit date: | 2013-10-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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6SAN
 | | SALSA / DMBT1 / GP340 SRCR domain 8 soaked in calcium and magnesium | | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | | Authors: | Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. | | Deposit date: | 2019-07-17 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold.
Life Sci Alliance, 3, 2020
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