6CUQ
 
 | |
6CYZ
 | |
6CVO
 | | Human Aprataxin (Aptx) bound to nicked RNA-DNA, AMP and Zn product complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ... | | Authors: | Schellenberg, M.J, Tumbale, P.P, Williams, R.S. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
|
|
6CVZ
 | | Crystal structure of the WD40-repeat of RFWD3 | | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | | Authors: | DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
|
|
6CWC
 | | Crystal structure of SpaA-SLH | | Descriptor: | CHLORIDE ION, SULFATE ION, Surface (S-) layer glycoprotein | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2018-03-30 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of cell wall anchoring by SLH domains in Paenibacillus alvei.
Nat Commun, 9, 2018
|
|
6CZR
 | | The structure of amicetin bound to the 70S ribosome | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Eiler, D.R, Steitz, T.A, Looper, R.E, Serrano, C.M, Kannareddy, H.R, Koch, M.R, Barrows, L.R, Testa, C.A, Sebahar, P.R. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-10 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Unifying the Aminohexopyranose- and Peptidyl-Nucleoside Antibiotics: Implications for Antibiotic Design
Angew.Chem.Int.Ed.Engl., 132, 2020
|
|
7AH4
 | | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 | | Descriptor: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | | Deposit date: | 2020-09-24 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021
|
|
7AH6
 | | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 | | Descriptor: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | | Deposit date: | 2020-09-24 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021
|
|
7AUZ
 | | LTA4 hydrolase in complex with compound LYS006 | | Descriptor: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2020-11-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
|
|
6CWP
 | |
7AV0
 | | LTA4 hydrolase in complex with compound R(13) | | Descriptor: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2020-11-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
|
|
6CXT
 | | Crystal structure of FAD-dependent dehydrogenase | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ... | | Authors: | Agarwal, V. | | Deposit date: | 2018-04-04 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Biochemistry, 58, 2019
|
|
6CY4
 | | RNA octamer containing 2'-OMe, 4'- Cbeta-OMe U. | | Descriptor: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2018-04-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
|
|
7AH5
 | | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706 | | Descriptor: | 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | | Deposit date: | 2020-09-24 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021
|
|
6CYP
 | |
7AV2
 | | LTA4 hydrolase in complex with fragment1 | | Descriptor: | (4-phenoxyphenyl)methanol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2020-11-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
|
|
6CZQ
 | |
8QLI
 | |
6D18
 | | Crystal structure of KPC-2 complexed with compound 6 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
|
|
6CXS
 | | Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine | | Descriptor: | 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein | | Authors: | Wallace, B.D, Redinbo, M.R. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.
Proc.Natl.Acad.Sci.USA, 2020
|
|
6CYO
 | |
6CYS
 | |
6D14
 | |
6D1Z
 | | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | | Descriptor: | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ... | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
|
|
6D47
 | |
