4WZU
 
 | | Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, SODIUM ION | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-11-20 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
To Be Published
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4X1N
 | | The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4 | | Descriptor: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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1IQ5
 | | Calmodulin/nematode CA2+/Calmodulin dependent kinase kinase fragment | | Descriptor: | CA2+/CALMODULIN DEPENDENT KINASE KINASE, CALCIUM ION, CALMODULIN | | Authors: | Kurokawa, H, Osawa, M, Kurihara, H, Katayama, N, Tokumitsu, H, Swindells, M.B, Kainosho, M, Ikura, M. | | Deposit date: | 2001-06-14 | | Release date: | 2001-09-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target-induced conformational adaptation of calmodulin revealed by the crystal structure of a complex with nematode Ca(2+)/calmodulin-dependent kinase kinase peptide
J.Mol.Biol., 312, 2001
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4H2V
 | | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with glycylated carrier protein | | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | | Deposit date: | 2012-09-13 | | Release date: | 2013-03-06 | | Last modified: | 2013-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
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4WJ1
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6Z0F
 | | Crystal structure of the membrane pseudokinase YukC/EssB from Bacillus subtilis T7SS | | Descriptor: | ESX secretion system protein YukC | | Authors: | Tassinari, M, Bellinzoni, M, Alzari, P.M, Fronzes, R, Gubellini, F. | | Deposit date: | 2020-05-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.553 Å) | | Cite: | The Antibacterial Type VII Secretion System of Bacillus subtilis: Structure and Interactions of the Pseudokinase YukC/EssB.
Mbio, 13, 2022
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2RB4
 | | Crystal structure of the Helicase domain of human DDX25 RNA helicase | | Descriptor: | ATP-dependent RNA helicase DDX25, CHLORIDE ION, SULFATE ION, ... | | Authors: | Lehtio, L, Hogbom, M, Uppenberg, J, Arrowsmith, C.H, Berglund, H, Edwards, A.M, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-18 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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4UIB
 | | Crystal structure of 3p in complex with tafCPB | | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4UIA
 | | Crystal structure of 3a in complex with tafCPB | | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4X0O
 | | Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, MALONATE ION, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-11-21 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
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4H2Y
 | | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and ATP | | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ... | | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | | Deposit date: | 2012-09-13 | | Release date: | 2013-03-06 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
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1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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4H2S
 | | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and AMP | | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | | Deposit date: | 2012-09-13 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
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3CRU
 | | Structural characterization of an engineered allosteric protein | | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Sagermann, M, Chapleau, R, DeLorimier, E, Lei, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
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6O0V
 | | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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3CRT
 | | Structural characterization of an engineered allosteric protein | | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Sagermann, M, Chapleau, R, DeLorimier, E, Lei, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
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6O0S
 | | Crystal structure of the tandem SAM domains from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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3CY5
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3D29
 | | Proteasome Inhibition by Fellutamide B | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ... | | Authors: | Groll, M, Hines, J, Fahnestock, M, Crews, M.C. | | Deposit date: | 2008-05-07 | | Release date: | 2008-06-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis
Chem.Biol., 15, 2008
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3D4X
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3LQY
 | | Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica | | Descriptor: | GLYCEROL, putative isochorismatase hydrolase | | Authors: | Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-02-10 | | Release date: | 2010-03-16 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica.
J.Struct.Funct.Genom., 13, 2012
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3D3Q
 | | Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR100 | | Descriptor: | tRNA delta(2)-isopentenylpyrophosphate transferase | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-05-12 | | Release date: | 2008-07-15 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis.
To be Published
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5LO5
 | | HSP90 WITH indole derivative | | Descriptor: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5DWK
 | | Diacylglycerol Kinase solved by multi crystal multi orientation native SAD | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ... | | Authors: | Weinert, T, Olieric, V, Finke, A.D, Li, D, Caffrey, M, Wang, M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Data-collection strategy for challenging native SAD phasing.
Acta Crystallogr D Struct Biol, 72, 2016
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6NXE
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