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2LEW	Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4 Descriptor: Alpha-defensin 4 Authors: Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Craik, D.J. Deposit date: 2011-06-24 Release date: 2012-05-16 Last modified: 2024-10-30 Method: SOLUTION NMR Cite: The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance. Amino Acids, 43, 2012
2MAK	Solution structure of the STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains. Descriptor: Calcium release-activated calcium channel protein 1, Stromal interaction molecule 1 Authors: Stathopulos, P.B, Ikura, M. Deposit date: 2013-07-12 Release date: 2014-01-15 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry. Nat Commun, 4, 2013
2MHP	Solution structure of the major factor VIII binding region on von Willebrand factor Descriptor: von Willebrand factor Authors: Shiltagh, N, Kirkpatrick, J, Cabrita, L.D, McKinnon, T.A.J, Thalassinos, K, Tuddenham, E.G.D, Hansen, D.F. Deposit date: 2013-12-02 Release date: 2014-05-14 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Solution structure of the major factor VIII binding region on von Willebrand factor. Blood, 123, 2014
2LEY	Solution structure of (R7G)-Crp4 Descriptor: Alpha-defensin 4 Authors: Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Figueredo, S.M, Qu, X, Craik, D.J, Ouellette, A.J. Deposit date: 2011-06-26 Release date: 2012-05-16 Last modified: 2024-11-06 Method: SOLUTION NMR Cite: The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance. Amino Acids, 43, 2012
3CP7	Crystal structure of a thermostable serine protease AL20 from extremophilic microoganism Descriptor: FORMIC ACID, alkaline serine protease AL20 Authors: Yang, N, Nan, J, Su, X.-D. Deposit date: 2008-03-31 Release date: 2009-02-10 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Crystal structure of an alkaline serine protease from Nesterenkonia sp. defines a novel family of secreted bacterial proteases Proteins, 73, 2008
5T56	[3]catenane from MccJ25 G12R/I13C/G21C lasso peptide Descriptor: Microcin J25 Authors: Link, A.J, Allen, C.D. Deposit date: 2016-08-30 Release date: 2017-07-12 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Self-Assembly of Catenanes from Lasso Peptides. J. Am. Chem. Soc., 138, 2016
3E90	West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H Descriptor: NS2B cofactor, NS3 protease, N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide Authors: Martin, J.L, Robin, G. Deposit date: 2008-08-21 Release date: 2009-01-20 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structure of West Nile virus NS3 protease: ligand stabilization of the catalytic conformation J.Mol.Biol., 385, 2009
5T87	Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424 Descriptor: CdiA toxin, CdiI immunity protein Authors: Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) Deposit date: 2016-09-06 Release date: 2017-09-13 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016). Proteins, 86 Suppl 1, 2018
6U2J	EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein Authors: Pang, S.S, Bayly-Jones, C. Deposit date: 2019-08-20 Release date: 2019-09-25 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (2.37 Å) Cite: The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
6U7S	NMR solution structure of SFTI-1 based plasmin inhibitor Descriptor: GLY-ARG-CYS-TYR-LYS-SER-LYS-PRO-PRO-ILE-CYS-PHE-PRO-ASP inhibitor Authors: White, A.M, Harvey, P.J, Durek, T, Craik, D.J. Deposit date: 2019-09-03 Release date: 2020-04-22 Last modified: 2024-10-23 Method: SOLUTION NMR Cite: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
6U2W	EM structure of MPEG-1(L425K) pre-pore complex bound to liposome Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein Authors: Pang, S.S, Bayly-Jones, C. Deposit date: 2019-08-20 Release date: 2019-09-25 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (3.63 Å) Cite: The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
6U7W	NMR solution structure of a triazole bridged KLK7 inhibitor Descriptor: 1-methyl-1H-1,2,3-triazole, GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN Authors: White, A.M, Harvey, P.J, Durek, T, Craik, D.J. Deposit date: 2019-09-03 Release date: 2020-04-22 Last modified: 2020-07-15 Method: SOLUTION NMR Cite: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
6UFN	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]heptan-2-one Descriptor: 7-[(3-aminopropyl)amino]heptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-09-24 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
6UHV	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide Descriptor: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-09-28 Release date: 2019-12-04 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
6UII	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol Descriptor: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-10-01 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
6U23	EM structure of MPEG-1(w.t.) soluble pre-pore Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein Authors: Pang, S.S, Bayly-Jones, C. Deposit date: 2019-08-19 Release date: 2019-09-25 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (3.49 Å) Cite: The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
6U2L	EM structure of MPEG-1 (L425K, beta conformation) soluble pre-pore complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein Authors: Pang, S.S, Bayly-Jones, C. Deposit date: 2019-08-20 Release date: 2019-09-25 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (2.83 Å) Cite: The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
6U2K	EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein Authors: Pang, S.S, Bayly-Jones, C. Deposit date: 2019-08-20 Release date: 2019-09-25 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (2.93 Å) Cite: The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
6UIM	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-{[(3-aminopropyl)amino]-2-oxoheptyl} thioacetate Descriptor: 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-10-01 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
6UIJ	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with S-{5-[(3-aminopropyl)amino]pentyl} thioacetate Descriptor: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-10-01 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
6U7X	NMR solution structure of triazole bridged plasmin inhibitor Descriptor: 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP Authors: White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. Deposit date: 2019-09-03 Release date: 2020-04-22 Last modified: 2024-10-30 Method: SOLUTION NMR Cite: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
6UHU	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentylboronic acid Descriptor: 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2019-09-28 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
5NLF	Crystal structure of Zn2.7-E16V human ubiquitin (hUb) mutant adduct, from a solution 100 mM zinc acetate/1.3 mM E16V hUb Descriptor: ACETATE ION, Polyubiquitin-C, ZINC ION Authors: Fermani, S, Falini, G. Deposit date: 2017-04-04 Release date: 2017-05-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium. Chemistry, 24, 2018
3LJ6	3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 at 2.42A RESOLUTION Descriptor: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1 Authors: Mileni, M, Stevens, R.C, Kamtekar, S. Deposit date: 2010-01-25 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation J.Mol.Biol., 400, 2010
3LJ7	3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with Carbamate inhibitor URB597 Descriptor: CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, Fatty-acid amide hydrolase 1 Authors: Mileni, M, Stevens, R.C, Kamtekar, S. Deposit date: 2010-01-25 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation J.Mol.Biol., 400, 2010

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