7SQM
 
 | | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | | Descriptor: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | | Authors: | Shu, W, Yokokawa, F. | | Deposit date: | 2021-11-05 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
|
|
6UCK
 | | proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Bent Conformer | | Descriptor: | Islet amyloid polypeptide | | Authors: | DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L. | | Deposit date: | 2019-09-16 | | Release date: | 2020-02-26 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment.
Febs J., 287, 2020
|
|
6UCJ
 | | proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Open Conformer | | Descriptor: | Islet amyloid polypeptide | | Authors: | DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L. | | Deposit date: | 2019-09-16 | | Release date: | 2020-02-26 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment.
Febs J., 287, 2020
|
|
6X3I
 | | NNAS Fc mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose | | Authors: | Wei, R, Zhou, Y.F. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.268 Å) | | Cite: | Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
|
|
8I5T
 | |
8I5U
 | |
5JPN
 | | Structure of human complement C4 rebuilt using iMDFF | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ... | | Authors: | Croll, T.I, Andersen, G.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
8I5P
 | |
8I5Q
 | |
6RUQ
 | | Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution | | Descriptor: | (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2019-05-28 | | Release date: | 2020-06-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (4.65 Å) | | Cite: | Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
|
|
4WK9
 | | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.102 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WKH
 | | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WKF
 | | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
8I5S
 | | Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | | Deposit date: | 2023-01-26 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
|
|
5JTW
 | | Crystal structure of complement C4b re-refined using iMDFF | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A | | Authors: | Croll, T.I, Andersen, G.R. | | Deposit date: | 2016-05-09 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
6LCE
 | |
6XSJ
 | |
6LCF
 | | Crystal Structure of beta-L-arabinobiose binding protein - native | | Descriptor: | ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose | | Authors: | Miyake, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2019-11-18 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum.
Febs J., 287, 2020
|
|
6XSV
 | |
6R35
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Lepsik, M, Sommer, R, Kuhaudomlarp, S, Lelimousin, M, Varrot, A, Titz, A, Imberty, A. | | Deposit date: | 2019-03-19 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
|
|
3FUB
 | | Crystal structure of GDNF-GFRalpha1 complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Parkash, V, Goldman, A. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Comparison of GFL-GFRalpha complexes: further evidence relating GFL bend angle to RET signalling
Acta Crystallogr.,Sect.F, 65, 2009
|
|
3EV0
 | | Crystal Structure of Ribonuclease A in 70% Dimethyl Sulfoxide | | Descriptor: | DIMETHYL SULFOXIDE, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
3EV3
 | | Crystal Structure of Ribonuclease A in 70% t-Butanol | | Descriptor: | Ribonuclease pancreatic, TERTIARY-BUTYL ALCOHOL | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
3EUY
 | | Crystal Structure of Ribonuclease A in 50% Dioxane | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
3EV6
 | | Crystal Structure of Ribonuclease A in 50% R,S,R-Bisfuranol | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
