4WBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wbb by Molmil](/molmil-images/mine/4wbb) | Single Turnover Autophosphorylation Cycle of the PKA RIIb Holoenzyme | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Zhang, P, Knape, M.J, Ahuja, L.G, Keshwani, M.M, King, C.C, Sastri, M, Herberg, F.W, Taylor, S.S. | Deposit date: | 2014-09-02 | Release date: | 2015-05-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Single Turnover Autophosphorylation Cycle of the PKA RII beta Holoenzyme. Plos Biol., 13, 2015
|
|
4URU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uru by Molmil](/molmil-images/mine/4uru) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4WDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdt by Molmil](/molmil-images/mine/4wdt) | 17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol | Descriptor: | 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdy by Molmil](/molmil-images/mine/4wdy) | JC Polyomavirus VP1 five-fold pore mutant N221Q | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-09-09 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins. J.Virol., 89, 2015
|
|
4V25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v25 by Molmil](/molmil-images/mine/4v25) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
|
|
4V3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v3n by Molmil](/molmil-images/mine/4v3n) | Membrane bound pleurotolysin prepore (TMH2 strand lock) trapped with engineered disulphide cross-link | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-20 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
|
|
4UR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ur9 by Molmil](/molmil-images/mine/4ur9) | Structure of ligand bound glycosylhydrolase | Descriptor: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | Authors: | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | Deposit date: | 2014-06-27 | Release date: | 2015-02-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4W8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8i by Molmil](/molmil-images/mine/4w8i) | Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase | Descriptor: | Probable sphingosine-1-phosphate lyase | Authors: | Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-24 | Release date: | 2014-11-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4W8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8t by Molmil](/molmil-images/mine/4w8t) | |
4W8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8z by Molmil](/molmil-images/mine/4w8z) | |
4WA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wa8 by Molmil](/molmil-images/mine/4wa8) | |
4WB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wb0 by Molmil](/molmil-images/mine/4wb0) | |
4WCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wcf by Molmil](/molmil-images/mine/4wcf) | Trypanosoma brucei PTR1 in complex with inhibitor 9 | Descriptor: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
|
|
4WDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdu by Molmil](/molmil-images/mine/4wdu) | 17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide | Descriptor: | 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4we2 by Molmil](/molmil-images/mine/4we2) | Donor strand complemented FaeG of F4ab fimbriae | Descriptor: | K88 fimbrial protein AB | Authors: | Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H. | Deposit date: | 2014-09-09 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli. J.Biol.Chem., 290, 2015
|
|
4V00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v00 by Molmil](/molmil-images/mine/4v00) | Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MONOTREME LACTATING PROTEIN | Authors: | Enjapoori, A.K, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R. | Deposit date: | 2014-09-10 | Release date: | 2015-09-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus. Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
4W80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w80 by Molmil](/molmil-images/mine/4w80) | |
4W4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4h by Molmil](/molmil-images/mine/4w4h) | Escherichia coli tryptophanase in holo form | Descriptor: | Tryptophanase | Authors: | Goldgur, Y. | Deposit date: | 2014-08-14 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Escherichia coli tryptophanase in holo and `semi-holo' forms. Acta Crystallogr.,Sect.F, 71, 2015
|
|
4W4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4k by Molmil](/molmil-images/mine/4w4k) | |
4W4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4u by Molmil](/molmil-images/mine/4w4u) | |
4W4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4m by Molmil](/molmil-images/mine/4w4m) | Crystal structure of PrgK 19-92 | Descriptor: | Lipoprotein PrgK | Authors: | Bergeron, J.R.C, Strynadka, N.C.J. | Deposit date: | 2014-08-15 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body. Structure, 23, 2015
|
|
4W4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4t by Molmil](/molmil-images/mine/4w4t) | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | Descriptor: | ACETATE ION, MxaA | Authors: | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | Deposit date: | 2014-08-15 | Release date: | 2015-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols. Chem.Biol., 22, 2015
|
|
4W60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w60 by Molmil](/molmil-images/mine/4w60) | The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis | Descriptor: | Late protein H7 | Authors: | Kolli, S, Meng, X, Wu, X, Shengjuler, D, Cameron, C.E, Xiang, Y, Deng, J. | Deposit date: | 2014-08-19 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication. J.Virol., 89, 2015
|
|
4W4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4x by Molmil](/molmil-images/mine/4w4x) | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
|
|
4W64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w64 by Molmil](/molmil-images/mine/4w64) | Hcp1 protein from Acinetobacter baumannii AB0057 | Descriptor: | SULFATE ION, Type VI secretion system effector, Hcp1 family | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2014-08-20 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Hcp from Acinetobacter baumannii: A Component of the Type VI Secretion System. Plos One, 10, 2015
|
|