6Q1C
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5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | Descriptor: | Coumestrol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7ZLW
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![BU of 7zlw by Molmil](/molmil-images/mine/7zlw) | NME1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-04-15 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
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7TGS
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![BU of 7tgs by Molmil](/molmil-images/mine/7tgs) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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5KRK
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![BU of 5krk by Molmil](/molmil-images/mine/5krk) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | Descriptor: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7TGU
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![BU of 7tgu by Molmil](/molmil-images/mine/7tgu) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TGT
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![BU of 7tgt by Molmil](/molmil-images/mine/7tgt) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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2IO2
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![BU of 2io2 by Molmil](/molmil-images/mine/2io2) | Crystal structure of human Senp2 in complex with RanGAP1-SUMO-1 | Descriptor: | Ran GTPase-activating protein 1, Sentrin-specific protease 2, Small ubiquitin-related modifier 1 | Authors: | Reverter, D, Lima, C.D. | Deposit date: | 2006-10-09 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for SENP2 protease interactions with SUMO precursors and conjugated substrates. Nat.Struct.Mol.Biol., 13, 2006
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7TGN
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![BU of 7tgn by Molmil](/molmil-images/mine/7tgn) | Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Desferrioxamine synthetase DesD, ... | Authors: | Patel, K.D, Gulick, A.M. | Deposit date: | 2022-01-07 | Release date: | 2022-07-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD. J.Biol.Chem., 298, 2022
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3F2C
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![BU of 3f2c by Molmil](/molmil-images/mine/3f2c) | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | Authors: | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | Deposit date: | 2008-10-29 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants. Proc.Natl.Acad.Sci.USA, 105, 2008
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7T1C
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1T99
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![BU of 1t99 by Molmil](/molmil-images/mine/1t99) | r106g kdo8ps without substrates | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION | Authors: | Gatti, D.L. | Deposit date: | 2004-05-16 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
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7TGM
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3F2D
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![BU of 3f2d by Molmil](/molmil-images/mine/3f2d) | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | Authors: | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | Deposit date: | 2008-10-29 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants. Proc.Natl.Acad.Sci.USA, 105, 2008
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7TGJ
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6J8G
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![BU of 6j8g by Molmil](/molmil-images/mine/6j8g) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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3WML
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![BU of 3wml by Molmil](/molmil-images/mine/3wml) | Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | Authors: | Jackson, C.J, Carr, P.D, Sugrue, E. | Deposit date: | 2013-11-21 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis Plos One, 9, 2014
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3WMU
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![BU of 3wmu by Molmil](/molmil-images/mine/3wmu) | The structure of an anti-cancer lectin mytilec apo-form from the mussel Mytilus galloprovincialis | Descriptor: | GLYCEROL, Lectin | Authors: | Terada, D, Kawai, F, Noguchi, H, Unzai, S, Park, S.-Y, Ozeki, Y, Tame, J.R.H. | Deposit date: | 2013-11-27 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of MytiLec, a galactose-binding lectin from the mussel Mytilus galloprovincialis with cytotoxicity against certain cancer cell types Sci Rep, 6, 2016
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2I06
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![BU of 2i06 by Molmil](/molmil-images/mine/2i06) | Escherichia Coli Replication Terminator Protein (Tus) Complexed With DNA- Locked form | Descriptor: | 5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3', 5'-D(*TP*G*AP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3', DNA replication terminus site-binding protein, ... | Authors: | Oakley, A.J, Mulcair, M.D, Schaeffer, P.M, Dixon, N.E. | Deposit date: | 2006-08-10 | Release date: | 2007-08-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Polarity of Termination of DNA Replication in E. coli. To be Published
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6I7P
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![BU of 6i7p by Molmil](/molmil-images/mine/6i7p) | Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | Deposit date: | 2018-11-16 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.975 Å) | Cite: | Supramolecular arrangement of the full-length Zika virus NS5. Plos Pathog., 15, 2019
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1SS6
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![BU of 1ss6 by Molmil](/molmil-images/mine/1ss6) | Solution structure of SEP domain from human p47 | Descriptor: | NSFL1 cofactor p47 | Authors: | Soukenik, M, Leidert, M, Sievert, V, Buessow, K, Leitner, D, Labudde, D, Ball, L.J, Oschkinat, H. | Deposit date: | 2004-03-23 | Release date: | 2004-11-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The SEP domain of p47 acts as a reversible competitive inhibitor of cathepsin L FEBS Lett., 576, 2004
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5K5Y
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![BU of 5k5y by Molmil](/molmil-images/mine/5k5y) | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori (strain 26695) | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Kekez, I, Cendron, L, Stojanovic, M, Zanotti, G, Matkovic-Calogovic, D. | Deposit date: | 2016-05-24 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and Stability of FlgD from the Pathogenic 26695 Strain of Helicobacter pylori Croatica Chemica Acta, 2016
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1JJ9
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![BU of 1jj9 by Molmil](/molmil-images/mine/1jj9) | Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition | Descriptor: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ... | Authors: | Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A. | Deposit date: | 2001-07-04 | Release date: | 2001-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition. J.Biol.Chem., 276, 2001
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1JJP
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![BU of 1jjp by Molmil](/molmil-images/mine/1jjp) | A(GGGG) Pentad-Containing Dimeric DNA Quadruplex Involving Stacked G(anti)G(anti)G(anti)G(syn) Tetrads | Descriptor: | 5'-D(*GP*GP*GP*AP*GP*GP*TP*TP*TP*GP*GP*GP*AP*T)-3' | Authors: | Zhang, N, Gorin, A, Majumdar, A, Kettani, A, Chernichenko, N, Skripkin, E, Patel, D.J. | Deposit date: | 2001-07-09 | Release date: | 2001-09-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | V-shaped scaffold: a new architectural motif identified in an A x (G x G x G x G) pentad-containing dimeric DNA quadruplex involving stacked G(anti) x G(anti) x G(anti) x G(syn) tetrads. J.Mol.Biol., 311, 2001
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8PUJ
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![BU of 8puj by Molmil](/molmil-images/mine/8puj) | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | Descriptor: | COB(II)INAMIDE, HYDROXIDE ION, SODIUM ION, ... | Authors: | Whittaker, J, Martinez-Felices, J.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2023-07-17 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The surface-exposed lipo-protein of BtuG3 in complex with cyanocobinamide. To Be Published
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