4KFP
 
 | | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | | Deposit date: | 2013-04-27 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
|
|
7PHX
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M. | | Deposit date: | 2021-08-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues.
Chem.Commun.(Camb.), 57, 2021
|
|
8B87
 | |
1RSV
 | | azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase | | Descriptor: | AZIDE ION, FE (III) ION, MERCURY (II) ION, ... | | Authors: | Assarsson, M, Andersson, M.E, Hogbom, M, Persson, B.O, Sahlin, M, Barra, A.L, Sjoberg, B.M, Nordlund, P, Graslund, A. | | Deposit date: | 2003-12-10 | | Release date: | 2003-12-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Restoring proper radical generation by azide binding to the iron site of the E238A mutant R2 protein of ribonucleotide reductase from Escherichia coli.
J.Biol.Chem., 276, 2001
|
|
5L5C
 | | Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P4(3)2(1)2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
|
|
2YJ0
 | | X-ray structure of chemically engineered Mycobacterium tuberculosis Dodecin | | Descriptor: | CHLORIDE ION, COENZYME A, DODECIN, ... | | Authors: | Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O. | | Deposit date: | 2011-05-17 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids.
Chem.Commun.(Camb.), 47, 2011
|
|
6WE3
 | | Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
|
|
2YOI
 | | Crystal Structure of Ancestral Thioredoxin Relative to Last Eukaryotes Common Ancestor (LECA) from the Precambrian Period | | Descriptor: | ACETATE ION, CHLORIDE ION, LECA THIOREDOXIN, ... | | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2012-10-24 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conservation of protein structure over four billion years.
Structure, 21, 2013
|
|
4B6E
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | 1H-indazol-7-amine, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ... | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-09 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
|
|
4ZXW
 | | Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose) | | Descriptor: | (1R)-1-(naphthalen-2-yl)ethane-1,2-diol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-domain type II peptide synthetase, ... | | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Crystal structure of SgcC5 protein from Streptomyces globisporus
To Be Published
|
|
7Q4M
 | | Type II beta-amyloid 42 Filaments from Human Brain | | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-11-01 | | Release date: | 2021-11-24 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
|
|
3MMK
 | | The structural basis for partial redundancy in a class of transcription factors, the lim-homeodomain proteins, in neural cell type specification | | Descriptor: | CHLORIDE ION, Fusion of LIM/homeobox protein Lhx4, linker, ... | | Authors: | Gadd, M.S, Langley, D.B, Guss, J.M, Matthews, J.M. | | Deposit date: | 2010-04-20 | | Release date: | 2011-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | The structural basis for partial redundancy in a class of transcription factors, the lim-homeodomain proteins, in neural cell type specification.
J.Biol.Chem., 2011
|
|
7Q4B
 | | Type I beta-amyloid 42 Filaments from Human Brain | | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-10-30 | | Release date: | 2021-11-24 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
|
|
2YN3
 | | Structural insight into the giant calcium-binding adhesin SiiE: implications for the adhesion of Salmonella enterica to polarized epithelial cells | | Descriptor: | CALCIUM ION, IODIDE ION, PHOSPHATE ION, ... | | Authors: | Griessl, M.H, Schmid, B, Kassler, K, Braunsmann, C, Ritter, R, Barlag, B, Sturm, K.U, Danzer, C, Wagner, C, Schaeffer, T.E, Sticht, H, Hensel, M, Muller, Y.A. | | Deposit date: | 2012-10-11 | | Release date: | 2013-04-03 | | Last modified: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications for the Adhesion of Salmonella Enterica to Polarized Epithelial Cells.
Structure, 21, 2013
|
|
4BKL
 | | Crystal structure of the arthritogenic antibody M2139 (Fab fragment) in complex with the triple-helical J1 peptide | | Descriptor: | J1 EPITOPE, M2139 FAB FRAGMENT HEAVY CHAIN, M2139 FAB FRAGMENT LIGHT CHAIN | | Authors: | Raposo, B, Dobritzsch, D, Ge, C, Ekman, D, Lindh, I, Foerster, M, Uysal, H, Schneider, G, Holmdahl, R. | | Deposit date: | 2013-04-26 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Epitope-Specific Antibody Response is Controlled by Immunoglobulin Vh Polymorphisms.
J.Exp.Med., 211, 2014
|
|
7MO0
 | | Crystal Structure of Nucleoporin NUP50 Ran-Binding Domain in Complex with Ran-GPPNHP | | Descriptor: | GTP-binding nuclear protein Ran, MAGNESIUM ION, Nuclear pore complex protein Nup50, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2022-06-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
|
|
6WM8
 | |
5A80
 | | Crystal structure of human JMJD2A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-11 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
|
|
5LBZ
 | | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Schneider, S, Medard, G, Kuster, B. | | Deposit date: | 2016-06-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
|
|
2YN1
 | | Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period | | Descriptor: | LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL | | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2012-10-11 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
|
|
4KPT
 | | Crystal structure of substrate binding domain 1 (SBD1) OF ABC transporter GLNPQ from lactococcus lactis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | | Deposit date: | 2013-05-14 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
|
|
4KR5
 | | Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in open conformation | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | | Deposit date: | 2013-05-16 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
|
|
4K22
 | | Structure of the C-terminal truncated form of E.Coli C5-hydroxylase UBII involved in ubiquinone (Q8) biosynthesis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Pecqueur, L, Lombard, M, Golinelli-pimpaneau, B, Fontecave, M. | | Deposit date: | 2013-04-07 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ubiI, a New Gene in Escherichia coli Coenzyme Q Biosynthesis, Is Involved in Aerobic C5-hydroxylation.
J.Biol.Chem., 288, 2013
|
|
3M1N
 | | Crystal structure of Human Sonic Hedgehog N-terminal domain | | Descriptor: | SULFATE ION, Sonic hedgehog protein, ZINC ION | | Authors: | Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F. | | Deposit date: | 2010-03-05 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
|
|
6R0T
 | | Getah virus macro domain in complex with ADPr in open conformation | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | Deposit date: | 2019-03-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
|
|
