9FII
 
 | | Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | Deposit date: | 2024-05-29 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FB2
 | | Gcase in complex with small molecule inhibitor 1 | | 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: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-11 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
9FDI
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-17 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
9BKF
 | |
9AVW
 | |
8Y86
 | | Human AE3 with NaHCO3- | | Descriptor: | Anion exchange protein 3, BICARBONATE ION | | Authors: | Jian, L, Zhang, Q, Yao, D, Cao, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | The structural insight into the functional modulation of human anion exchanger 3.
Nat Commun, 15, 2024
|
|
8YVV
 | | The Crystal Structure of BTK from Biortus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | Deposit date: | 2024-03-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Crystal Structure of BTK from Biortus.
To Be Published
|
|
9CYL
 | | Structure of LAG3 loop1 deletion bound to the MHC class II molecule I-A(b) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Class-II-associated invariant chain peptide, H-2 class II histocompatibility antigen, ... | | Authors: | Ming, Q, Tran, T.H, Antfolk, D, Luca, V.C. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (4.66 Å) | | Cite: | Structural basis for LAG3 interactions with MHC class II
To Be Published
|
|
9B0B
 | |
9EO6
 | | SARS-CoV2 major protease in complex with a covalent inhibitor SLL11. | | Descriptor: | 3C-like proteinase nsp5, Inhibitor SLL11, POTASSIUM ION | | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | Deposit date: | 2024-03-14 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
|
|
9EUN
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
|
|
9BDD
 | | Cryo-EM Structure of Non-Cognate Substrate Bound in the Entry Site (ES) of Human Mitochondrial Transcription Elongation Complex | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA-directed RNA polymerase, mitochondrial, ... | | Authors: | Herbine, K.H, Nayak, A.R, Temiakov, D. | | Deposit date: | 2024-04-11 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural basis for substrate binding and selection by human mitochondrial RNA polymerase.
Nat Commun, 15, 2024
|
|
9ENJ
 | | L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-glutamate | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLUTAMIC ACID, L-amino acid oxidase 4, ... | | Authors: | Gilzer, D, Koopmeiners, S, Fischer von Mollard, G, Niemann, H.H. | | Deposit date: | 2024-03-13 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and enzyme engineering of the broad substrate spectrum l-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum.
Febs Lett., 2024
|
|
8Y6Z
 | |
9BJW
 | |
9BKE
 | | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 WITH AMP BOUND | | Descriptor: | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, ADENOSINE MONOPHOSPHATE | | Authors: | Zhou, D, Chen, L, Rose, J.P, Wang, B.C. | | Deposit date: | 2024-04-27 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 WITH AMP BOUND
To Be Published
|
|
9G0B
 | |
9BJF
 | |
9BK8
 | |
8Y75
 | |
9F9Z
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-09 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.279 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
8ZWL
 | |
9FA3
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-10 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
8ZLE
 | | hAE3NTD2TMD with PT5,CLR, and Y01 | | Descriptor: | CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate, ... | | Authors: | Jian, L, Zhang, Q, Yao, D, Wang, Q, Xia, Y, Qin, A, Cao, Y. | | Deposit date: | 2024-05-19 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | The structural insight into the functional modulation of human anion exchanger 3.
Nat Commun, 15, 2024
|
|
9FAL
 | | Gcase in complex with small molecule inhibitor 1 | | 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: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-10 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
