3CT0
 
 | |
4V0B
 | | Escherichia coli FtsH hexameric N-domain | | Descriptor: | ATP-DEPENDENT ZINC METALLOPROTEASE FTSH, SULFATE ION | | Authors: | Serek-Heuberger, J, Martin, J, Lupas, A.N, Hartmann, M.D. | | Deposit date: | 2014-09-13 | | Release date: | 2015-01-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure and Evolution of N-Domains in Aaa Metalloproteases.
J.Mol.Biol., 427, 2015
|
|
5OCR
 | | Crystal structure of the kappa-carrageenase zobellia_236 from Zobellia galactanivorans | | Descriptor: | GLYCEROL, Kappa-carrageenase, MAGNESIUM ION | | Authors: | Czjzek, M, Matard-Mann, M, Michel, G, Jeudy, A, Larocque, R. | | Deposit date: | 2017-07-03 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
J. Biol. Chem., 292, 2017
|
|
7NIP
 | |
5A1Q
 | |
5ADP
 | | Crystal structure of the A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
|
|
8C6P
 | | Fragment screening hit I bound to endothiapepsin | | Descriptor: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C71
 | | Pyrrolidine fragment 5b bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C72
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C6S
 | | Fragment screening hit III bound to endothiapepsin | | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
1W66
 | |
4V15
 | | Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans | | Descriptor: | D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K. | | Deposit date: | 2014-09-24 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Plos One, 10, 2015
|
|
1MXD
 | | Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic archaeon Pyrococcus woesei | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Linden, A, Mayans, O, Meyer-Klaucke, W, Antranikian, G, Wilmanns, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-06-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differential Regulation of a Hyperthermophilic alpha-Amylase with a Novel (Ca,Zn) Two-metal Center by Zinc
J.Biol.Chem., 278, 2003
|
|
5AFG
 | | Structure of the Stapled Peptide Bound to Mdm2 | | Descriptor: | 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE | | Authors: | Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R. | | Deposit date: | 2015-01-22 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
1VCP
 | |
1MXG
 | | Crystal Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic archaeon Pyrococcus woesei in complex with acarbose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Linden, A, Mayans, O, Meyer-Klaucke, W, Antranikian, G, Wilmanns, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-06-10 | | Last modified: | 2020-09-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Differential Regulation of a Hyperthermophilic alpha-Amylase with a Novel (Ca,Zn) Two-metal Center by Zinc
J.Biol.Chem., 278, 2003
|
|
5I6A
 | | bicyclo[3.3.2]decapeptide | | Descriptor: | ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE | | Authors: | Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2016-02-16 | | Release date: | 2016-03-09 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (0.813 Å) | | Cite: | Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide
Arkivoc, 2014, 2014
|
|
1VZW
 | | Crystal structure of the bifunctional protein Pria | | Descriptor: | GLYCEROL, PHOSPHORIBOSYL ISOMERASE A, SULFATE ION | | Authors: | Kuper, J, Wilmanns, M. | | Deposit date: | 2004-05-27 | | Release date: | 2005-01-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Two-Fold Repeated (Beta-Alpha)(4) Half-Barrels May Provide a Molecular Tool for Dual Substrate Specificity
Embo Rep., 6, 2005
|
|
1MWO
 | | Crystal Structure Analysis of the Hyperthermostable Pyrocoocus woesei alpha-amylase | | Descriptor: | CALCIUM ION, ZINC ION, alpha amylase | | Authors: | Linden, A, Mayans, O, Meyer-Klaucke, W, Antranikian, G, Wilmanns, M. | | Deposit date: | 2002-09-30 | | Release date: | 2003-06-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Differential Regulation of a Hyperthermophilic alpha-Amylase with a Novel (Ca,Zn) Two-metal Center by Zinc
J.Biol.Chem., 278, 2003
|
|
4USH
 | |
5W3O
 | | CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, empty particle) | | Descriptor: | C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ... | | Authors: | Liu, Y, Dong, Y, Rossmann, M.G. | | Deposit date: | 2017-06-08 | | Release date: | 2017-07-12 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
