5XZG
 
 | | Mouse cGAS bound to the inhibitor RU521 | | Descriptor: | 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | | Deposit date: | 2017-07-12 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.828 Å) | | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
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3ZYT
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5XZB
 | | Mouse cGAS bound to the inhibitor RU365 | | Descriptor: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | | Deposit date: | 2017-07-12 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
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5A6X
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with alpha-methyl-fucoside | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
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5A6Q
 | | Native structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-06-30 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
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5A6Z
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, LECB, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
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4Z0L
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | Deposit date: | 2015-03-26 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
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5A70
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide | | Descriptor: | CALCIUM ION, LECB, SULFATE ION, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
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5A6Y
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, GLYCEROL, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
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1NIZ
 | | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | Exterior membrane glycoprotein(GP120) | | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | | Deposit date: | 2002-12-30 | | Release date: | 2003-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity.
Structure, 11, 2003
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1NJ0
 | | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | Exterior membrane glycoprotein(GP120) | | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | | Deposit date: | 2002-12-30 | | Release date: | 2003-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity.
Structure, 11, 2003
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6B0B
 | | Crystal structure of human APOBEC3H | | Descriptor: | APOBEC3H, MCherry, RNA (5'-R(*UP*AP*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | | Deposit date: | 2017-09-14 | | Release date: | 2017-10-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.2800622 Å) | | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
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5A1A
 | | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | | Deposit date: | 2015-04-29 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor
Science, 348, 2015
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6BBO
 | | Crystal structure of human APOBEC3H/RNA complex | | Descriptor: | APOBEC3H, GLYCEROL, MCherry fluorescent protein, ... | | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.428 Å) | | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
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4PZF
 | | Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | | Deposit date: | 2014-03-30 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
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1X90
 | | Crystal structure of mutant form B of a pectin methylesterase inhibitor from Arabidopsis | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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1X8Z
 | | Crystal structure of a pectin methylesterase inhibitor from Arabidopsis thaliana | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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1X91
 | | Crystal structure of mutant form A of a pectin methylesterase inhibitor from Arabidopsis | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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4ZSI
 | | Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with glucosamine-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ... | | Authors: | Fillenberg, S.B, Koerner, S, Muller, Y.A. | | Deposit date: | 2015-05-13 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
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5SWW
 | | Crystal Structure of Human APOBEC3A complexed with ssDNA | | Descriptor: | DNA 15-Mer, DNA dC->dU-editing enzyme APOBEC-3A, GLYCEROL, ... | | Authors: | Shi, K, Banerjee, S, Kurahashi, K, Aihara, H. | | Deposit date: | 2016-08-09 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
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2B1A
 | | Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide | | Descriptor: | Fab 2219, heavy chain, light chain, ... | | Authors: | Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.
J.Virol., 80, 2006
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2B1H
 | | Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide | | Descriptor: | Fab 2219, heavy chain, light chain, ... | | Authors: | Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.
J.Virol., 80, 2006
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5TD5
 | | Crystal Structure of Human APOBEC3B variant complexed with ssDNA | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ... | | Authors: | Shi, K, Banerjee, S, Kurahashi, K, Aihara, H. | | Deposit date: | 2016-09-16 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
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2B0S
 | | Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with MN peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Fab 2219, ... | | Authors: | Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A. | | Deposit date: | 2005-09-14 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.
J.Virol., 80, 2006
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5U8Y
 | | Crystal structure of Co-CAO1 | | Descriptor: | COBALT (II) ION, Carotenoid oxygenase 1 | | Authors: | Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D. | | Deposit date: | 2016-12-15 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
Biochemistry, 56, 2017
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