3GAI
 
 | | Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ... | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2009-02-17 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
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1M8V
 | | Structure of Pyrococcus abyssii Sm Protein in Complex with a Uridine Heptamer | | Descriptor: | 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', CALCIUM ION, PUTATIVE SNRNP SM-LIKE PROTEIN, ... | | Authors: | Thore, S, Mayer, C, Sauter, C, Weeks, S, Suck, D. | | Deposit date: | 2002-07-26 | | Release date: | 2003-02-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Pyrococcus abyssii Sm core and its Complex with RNA: Common Features of RNA-binding in Archaea and Eukarya
J.Biol.Chem., 278, 2003
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4YUE
 | | Mouse IL-2 Bound to S4B6 Fab Fragment | | Descriptor: | GLYCEROL, Interleukin-2, S4B6 Fab heavy chain, ... | | Authors: | Spangler, J.B, Jude, K.M, Garcia, K.C. | | Deposit date: | 2015-03-18 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms.
Immunity, 42, 2015
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2W54
 | | Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde | | Descriptor: | 6-HYDROXYMETHYLPTERIN, BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C. | | Deposit date: | 2008-12-04 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
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2CB4
 | | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E197Q | | Descriptor: | MOSQUITOCIDAL TOXIN | | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2005-12-29 | | Release date: | 2006-02-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus.
J.Mol.Biol., 357, 2006
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5DF0
 | | Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE | | Descriptor: | (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, ... | | Authors: | Mou, T.-C, Sprang, S.R. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.251 Å) | | Cite: | Crystal structure of AcMNPV Chitinase A
To Be Published
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5CVB
 | | Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a1a1a1 of type I collagen | | Descriptor: | Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-2(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, ... | | Authors: | Boudko, S.P, Bachinger, H.P. | | Deposit date: | 2015-07-25 | | Release date: | 2016-08-10 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Structural insight for chain selection and stagger control in collagen.
Sci Rep, 6, 2016
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4JO0
 | | Crystal Structure of CmlA, a diiron beta-hydroxylase from Streptomyces venezuelae | | Descriptor: | ACETATE ION, CmlA, FE (III) ION, ... | | Authors: | Knoot, C.J, Makris, T.M, Wilmot, C.M, Lipscomb, J.D. | | Deposit date: | 2013-03-16 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structure of a Dinuclear Iron Cluster-Containing beta-Hydroxylase Active in Antibiotic Biosynthesis.
Biochemistry, 52, 2013
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6XFQ
 | | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor | | Descriptor: | Platelet glycoprotein Ib alpha chain, Snaclec agglucetin subunit alpha-1, Snaclec agglucetin subunit beta-2 | | Authors: | Wang, J, Gao, Y.X, Ke, J.Y, Zhu, Z.L, Niu, L.W. | | Deposit date: | 2020-06-16 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of a novel antithrombotic agent Agkisacucetin in complex with the platelet glycoprotein Ib receptor
To be published
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6XFR
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4YAT
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) | | Descriptor: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-17 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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2W9B
 | | Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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2CGI
 | | Siras structure of tetragonal lysozyme using derivative data collected at the high energy remote Holmium Kedge | | Descriptor: | CHLORIDE ION, LYSOZYME C | | Authors: | Jakoncic, J, Di Michiel, M, Zhong, Z, Honkimaki, V, Jouanneau, Y, Stojanoff, V. | | Deposit date: | 2006-03-07 | | Release date: | 2006-11-13 | | Last modified: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography.
J.Appl.Crystallogr., 39, 2006
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5CYU
 | | Structure of the soluble domain of EccB1 from the Mycobacterium smegmatis ESX-1 secretion system. | | Descriptor: | Conserved membrane protein | | Authors: | Arbing, M.A, Chan, S, Kahng, S, Kim, J, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-30 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
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4YB8
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2WAE
 | | PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204) | | Descriptor: | PENICILLIN-BINDING PROTEIN 2B, ZINC ION | | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | | Deposit date: | 2009-02-05 | | Release date: | 2009-02-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
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4JLE
 | | Structure of the P. falciparum PFI1780w PHIST domain | | Descriptor: | ACETATE ION, CHLORIDE ION, PHIST | | Authors: | Slater, L, Vakonakis, I. | | Deposit date: | 2013-03-12 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Plasmodium falciparum PHIST protein binds the virulence factor PfEMP1 and comigrates to knobs on the host cell surface.
Faseb J., 28, 2014
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4YBT
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) | | Descriptor: | DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-19 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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2CIN
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4YBI
 | | Crystal structure of BACE with amino thiazine inhibitor LY2811376 | | Descriptor: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Timm, D.E. | | Deposit date: | 2015-02-18 | | Release date: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
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1LWL
 | | Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide) | | Descriptor: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B. | | Deposit date: | 2002-05-31 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
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4JPZ
 | | Voltage-gated sodium channel 1.2 C-terminal domain in complex with FGF13U and Ca2+/calmodulin | | Descriptor: | CALCIUM ION, Calmodulin, Fibroblast growth factor 13, ... | | Authors: | Wang, C, Chung, B.C, Yan, H, Wang, H.G, Lee, S.Y, Pitt, G.S. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural analyses of Ca(2+)/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation.
Nat Commun, 5, 2014
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4YC4
 | | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | | Authors: | Klima, M, Boura, E. | | Deposit date: | 2015-02-19 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
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5D6C
 | | Structure of 4497 Fab bound to synthetic wall teichoic acid fragment | | Descriptor: | 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ... | | Authors: | Lupardus, P.J, Fong, R. | | Deposit date: | 2015-08-12 | | Release date: | 2015-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Nature, 527, 2015
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4J56
 | | Structure of Plasmodium falciparum thioredoxin reductase-thioredoxin complex | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin, Thioredoxin reductase 2 | | Authors: | Fritz-Wolf, K, Jortzik, E, Stumpf, M, Preuss, J, Iozef, R, Rahlfs, S, Becker, K. | | Deposit date: | 2013-02-08 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Crystal Structure of the Plasmodium falciparum Thioredoxin Reductase-Thioredoxin Complex.
J.Mol.Biol., 425, 2013
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