4ZCC
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![BU of 4zcc by Molmil](/molmil-images/mine/4zcc) | Renalase in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Silvaggi, N.R, Moran, G.R, Roman, J.V. | Deposit date: | 2015-04-15 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Bacterial Renalase: Structure and Kinetics of an Enzyme with 2- and 6-Dihydro-beta-NAD(P) Oxidase Activity from Pseudomonas phaseolicola. Biochemistry, 54, 2015
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4OVR
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![BU of 4ovr by Molmil](/molmil-images/mine/4ovr) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM XANTHOBACTER AUTOTROPHICUS PY2, TARGET EFI-510329, WITH BOUND BETA-D-GALACTURONATE | Descriptor: | CHLORIDE ION, TRAP dicarboxylate transporter, DctP subunit, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-12-12 | Release date: | 2014-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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1ANP
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![BU of 1anp by Molmil](/molmil-images/mine/1anp) | |
7PJD
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![BU of 7pjd by Molmil](/molmil-images/mine/7pjd) | |
5DWG
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![BU of 5dwg by Molmil](/molmil-images/mine/5dwg) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol | Descriptor: | 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6ZZ9
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6OVD
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![BU of 6ovd by Molmil](/molmil-images/mine/6ovd) | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC | Descriptor: | (3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... | Authors: | Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B. | Deposit date: | 2019-05-07 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC To Be Published
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1A8L
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![BU of 1a8l by Molmil](/molmil-images/mine/1a8l) | PROTEIN DISULFIDE OXIDOREDUCTASE FROM ARCHAEON PYROCOCCUS FURIOSUS | Descriptor: | PROTEIN DISULFIDE OXIDOREDUCTASE, ZINC ION | Authors: | Ren, B, Tibbelin, G, Pascale, D, Rossi, M, Bartolucci, S, Ladenstein, R. | Deposit date: | 1998-03-26 | Release date: | 1999-03-30 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus contains two thioredoxin fold units. Nat.Struct.Biol., 5, 1998
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6RL5
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6RPB
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![BU of 6rpb by Molmil](/molmil-images/mine/6rpb) | Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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4P3I
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![BU of 4p3i by Molmil](/molmil-images/mine/4p3i) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA. | Descriptor: | P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-03-07 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6941 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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1ADQ
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7VK6
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![BU of 7vk6 by Molmil](/molmil-images/mine/7vk6) | |
5KD5
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5KHP
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![BU of 5khp by Molmil](/molmil-images/mine/5khp) | Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications | Descriptor: | GLYCEROL, N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, ... | Authors: | Rupert, P.B, Strong, R.K. | Deposit date: | 2016-06-15 | Release date: | 2017-04-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms. Inorg Chem, 55, 2016
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5DKD
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![BU of 5dkd by Molmil](/molmil-images/mine/5dkd) | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe To Be Published
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1AIH
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![BU of 1aih by Molmil](/molmil-images/mine/1aih) | CATALYTIC DOMAIN OF BACTERIOPHAGE HP1 INTEGRASE | Descriptor: | HP1 INTEGRASE, MAGNESIUM ION, SULFATE ION | Authors: | Hickman, A.B, Waninger, S, Scocca, J.J, Dyda, F. | Deposit date: | 1997-04-17 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular organization in site-specific recombination: the catalytic domain of bacteriophage HP1 integrase at 2.7 A resolution. Cell(Cambridge,Mass.), 89, 1997
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6EJW
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![BU of 6ejw by Molmil](/molmil-images/mine/6ejw) | Tryptophan Repressor TrpR from E.coli wildtype with Indole-3-acetic acid as ligand | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-23 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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7V9G
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![BU of 7v9g by Molmil](/molmil-images/mine/7v9g) | Native BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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7PLP
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![BU of 7plp by Molmil](/molmil-images/mine/7plp) | Human Teneurin-4 C-rich domain | Descriptor: | CALCIUM ION, FE (III) ION, NICKEL (II) ION, ... | Authors: | Beugelink, J.W, Meijer, D.H, Janssen, B.J.C. | Deposit date: | 2021-09-01 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions. Embo J., 41, 2022
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8H53
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![BU of 8h53 by Molmil](/molmil-images/mine/8h53) | Human asparaginyl-tRNA synthetase in complex with asparagine-AMP | Descriptor: | 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ... | Authors: | Park, J.S, Han, B.W. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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5HPK
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![BU of 5hpk by Molmil](/molmil-images/mine/5hpk) | System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1 | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1 | Authors: | Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A. | Deposit date: | 2016-01-20 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.431 Å) | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
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5KGS
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![BU of 5kgs by Molmil](/molmil-images/mine/5kgs) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | Descriptor: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Maize, K.M, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2016-06-13 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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8CAG
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![BU of 8cag by Molmil](/molmil-images/mine/8cag) | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | Deposit date: | 2023-01-24 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli To Be Published
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7V9F
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![BU of 7v9f by Molmil](/molmil-images/mine/7v9f) | Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ... | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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