5FFJ
 
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6POB
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-03 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6N2A
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6V7L
 | | The structure of the P212121 crystal form of canavalin at 173 K | | Descriptor: | BENZOIC ACID, Canavalin | | Authors: | McPherson, A. | | Deposit date: | 2019-12-08 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
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6YGF
 | | NADase from Aspergillus fumigatus with trapped reaction products | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AfNADase, ... | | Authors: | Stromland, O, Ziegler, M, Kallio, J.P. | | Deposit date: | 2020-03-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
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8ONX
 | | High resolution structure of Chaetomium thermophilum MAP2 | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2 | | Authors: | Klein, M.A, Wild, K, Kisonaite, M, Sinning, I. | | Deposit date: | 2023-04-04 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
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5EDL
 | | Crystal structure of an S-component of ECF transporter | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Putative HMP/thiamine permease protein YkoE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | | Authors: | Josts, I, Tidow, H. | | Deposit date: | 2015-10-21 | | Release date: | 2016-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of a Group I Energy Coupling Factor Vitamin Transporter S Component in Complex with Its Cognate Substrate.
Cell Chem Biol, 23, 2016
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5L6H
 | | Uba1 in complex with Ub-ABPA3 covalent adduct | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Misra, M, Schindelin, H. | | Deposit date: | 2016-05-30 | | Release date: | 2017-06-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
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6G33
 | | Crystal structure of CLK1 in complex with 5-iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ... | | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-24 | | Release date: | 2018-04-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6POU
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GADOLINIUM ATOM, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6G3D
 | | Crystal structure of Native EDDS lyase | | Descriptor: | Argininosuccinate lyase | | Authors: | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | | Deposit date: | 2018-03-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.221 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
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6YOM
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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5FGS
 | | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group | | Descriptor: | Cell surface protein SpaA, ZINC ION | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2015-12-21 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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8OGE
 | | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | Deposit date: | 2023-03-20 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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6G3J
 | | MHC A02 Allele presenting MTSAIGILVP | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Rizkallah, P.J, Sewell, A.K. | | Deposit date: | 2018-03-26 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide Super-Agonist Enhances T-Cell Responses to Melanoma.
Front Immunol, 10, 2019
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6YP3
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028 | | Descriptor: | 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2020-04-15 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5UEM
 | | Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 354NC37 Fab Heavy Chain, ... | | Authors: | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
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6V43
 | | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | | Descriptor: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | | Authors: | Begley, T.P, Adak, S, Zhao, B, Li, P. | | Deposit date: | 2019-11-27 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway
To Be Published
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5DPS
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5FGZ
 | | E. coli PBP1b in complex with FPI-1465 | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5FWV
 | | Wnt modulator Kremen crystal form III at 3.2A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, KREMEN PROTEIN 1 | | Authors: | Zebisch, M, Jackson, V.A, Jones, E.Y. | | Deposit date: | 2016-02-21 | | Release date: | 2016-07-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
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8OU1
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5U0J
 | | C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - monoclinic crystal form | | Descriptor: | Glutaminase kidney isoform, mitochondrial, SODIUM ION | | Authors: | Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B. | | Deposit date: | 2016-11-24 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
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7D4A
 | | The Crystal Structure of human JMJD2A Tudor domain from Biortus | | Descriptor: | Lysine-specific demethylase 4A, SULFATE ION | | Authors: | Wang, F, Lv, Z, Cheng, W, Lin, D, Ju, C, Bao, X, Zhu, B. | | Deposit date: | 2020-09-23 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | The Crystal Structure of human JMJD2A from Biortus.
To Be Published
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5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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