4XRT
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![BU of 4xrt by Molmil](/molmil-images/mine/4xrt) | Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway | Descriptor: | FORMIC ACID, StfQ Aromatase/Cyclase | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Y1S
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![BU of 4y1s by Molmil](/molmil-images/mine/4y1s) | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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4Y24
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![BU of 4y24 by Molmil](/molmil-images/mine/4y24) | Complex of human Galectin-1 and TD-139 | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
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4XNR
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![BU of 4xnr by Molmil](/molmil-images/mine/4xnr) | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | Authors: | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | Deposit date: | 2015-01-16 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Synthesis and applications of RNAs with position-selective labelling and mosaic composition. Nature, 522, 2015
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3EM0
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![BU of 3em0 by Molmil](/molmil-images/mine/3em0) | Crystal structure of Zebrafish Ileal Bile Acid-Bindin Protein complexed with cholic acid (crystal form B). | Descriptor: | CHOLIC ACID, Ileal Bile Acid-Binding Protein | Authors: | Capaldi, S, Saccomani, G, Fessas, D, Signorelli, M, Perduca, M, Monaco, H.L. | Deposit date: | 2008-09-23 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The X-Ray structure of zebrafish (Danio rerio) ileal bile acid-binding protein reveals the presence of binding sites on the surface of the protein molecule. J.Mol.Biol., 385, 2009
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4HW2
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![BU of 4hw2 by Molmil](/molmil-images/mine/4hw2) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4Y31
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![BU of 4y31 by Molmil](/molmil-images/mine/4y31) | Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form | Descriptor: | ACETATE ION, Protein LlR18A | Authors: | Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2015-02-10 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein. J.Struct.Biol., 193, 2016
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3T1Y
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![BU of 3t1y by Molmil](/molmil-images/mine/3t1y) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | Deposit date: | 2011-07-22 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism. J.Mol.Biol., 416, 2012
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4Y3B
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![BU of 4y3b by Molmil](/molmil-images/mine/4y3b) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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4HW3
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![BU of 4hw3 by Molmil](/molmil-images/mine/4hw3) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4XRW
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![BU of 4xrw by Molmil](/molmil-images/mine/4xrw) | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XT2
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![BU of 4xt2 by Molmil](/molmil-images/mine/4xt2) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist | Descriptor: | (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Scheuermann, T.H, Gardner, K.H. | Deposit date: | 2015-01-22 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. J.Med.Chem., 58, 2015
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4XOL
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![BU of 4xol by Molmil](/molmil-images/mine/4xol) | Observing the overall rocking motion of a protein in a crystal - Cubic Ubiquitin crystals. | Descriptor: | Ubiquitin, ZINC ION | Authors: | Coquelle, N, Peixiang, M, Schanda, P, Colletier, J.P. | Deposit date: | 2015-01-16 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Observing the overall rocking motion of a protein in a crystal. Nat Commun, 6, 2015
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4Y1T
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![BU of 4y1t by Molmil](/molmil-images/mine/4y1t) | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.666 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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4Y32
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![BU of 4y32 by Molmil](/molmil-images/mine/4y32) | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | Authors: | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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4XOF
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![BU of 4xof by Molmil](/molmil-images/mine/4xof) | |
7TC3
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![BU of 7tc3 by Molmil](/molmil-images/mine/7tc3) | Human APE1 in the apo form | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.252 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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7TC2
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![BU of 7tc2 by Molmil](/molmil-images/mine/7tc2) | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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3T1H
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![BU of 3t1h by Molmil](/molmil-images/mine/3t1h) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA lysine 3 (tRNALys3) bound to an mRNA with an AAA-codon in the A-site and Paromomycin | Descriptor: | 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | Deposit date: | 2011-07-21 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism. J.Mol.Biol., 416, 2012
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3TD5
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![BU of 3td5 by Molmil](/molmil-images/mine/3td5) | Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala | Descriptor: | CHLORIDE ION, Outer membrane protein omp38, peptide(L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala) | Authors: | Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y. | Deposit date: | 2011-08-10 | Release date: | 2011-10-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane Faseb J., 26, 2012
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4IRG
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![BU of 4irg by Molmil](/molmil-images/mine/4irg) | Uninhibited DNA-binding domain of the Ets transcription factor ERG | Descriptor: | Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IRH
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![BU of 4irh by Molmil](/molmil-images/mine/4irh) | Auto-inhibited ERG Ets domain | Descriptor: | Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IRI
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![BU of 4iri by Molmil](/molmil-images/mine/4iri) | Auto-inhibited ERG Ets Domain-DNA Complex | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'), Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4X0Z
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![BU of 4x0z by Molmil](/molmil-images/mine/4x0z) | JC Polyomavirus genotype 3 VP1 in complex with GM1 oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X17
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![BU of 4x17 by Molmil](/molmil-images/mine/4x17) | JC Mad-1 polyomavirus VP1 in complex with GD1b oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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