8RX9
 
 | | LTA4 hydrolase in complex with compound3 | | Descriptor: | 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-02-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
|
|
9GJV
 | |
6YPD
 | | Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) | | Descriptor: | (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-04-15 | | Release date: | 2020-06-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
|
|
7YKV
 | | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate, ... | | Authors: | Wang, W.W, Liu, X.P. | | Deposit date: | 2022-07-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
|
|
5MKV
 | | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2) residues 13-516 | | Descriptor: | 1,2-ETHANEDIOL, Dihydropyrimidinase-related protein 2 | | Authors: | Sethi, R, Zheng, Y, Krojer, T, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | | Deposit date: | 2016-12-05 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
|
|
5MNQ
 | | Cationic trypsin in complex with a derivative of N-amidinopiperidine | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.337 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
|
|
9B5V
 | |
6H6C
 | | Carbomonoxy murine neuroglobin F106A mutant | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, GLYCEROL, ... | | Authors: | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | Deposit date: | 2018-07-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
|
|
8S0J
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
6N7Z
 | |
5JUH
 | | Crystal structure of C-terminal domain (RV) of MpAFP | | Descriptor: | Antifreeze protein, CALCIUM ION | | Authors: | Guo, S. | | Deposit date: | 2016-05-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
|
|
4R1F
 | |
8DNK
 | | Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6 | | Descriptor: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Mohr, C. | | Deposit date: | 2022-07-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
|
|
6YAT
 | | Crystal structure of STK4 (MST1) in complex with compound 6 | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | | Authors: | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 65, 2022
|
|
5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
9GDE
 | |
6N8G
 | | IRAK4 bound to benzoxazole compound | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide | | Authors: | Larsen, N.A, Bloudoff, K, Subramanian, V, Dobrzanska, M, Gluza, K. | | Deposit date: | 2018-11-29 | | Release date: | 2018-12-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | To be published
To Be Published
|
|
5GM7
 | | Crystal structure of Ribosome inactivating protein from Momordica balsamina at 1.78 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Ribosome inactivating protein | | Authors: | Singh, B, Singh, P.K, Pandey, S.N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-07-13 | | Release date: | 2016-07-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina at 1.78 Angstrom resolution
To Be Published
|
|
6YE2
 | |
8RPJ
 | | JanthE from Janthinobacterium sp. HH01 | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
6VMI
 | | Structure of the human mitochondrial ribosome-EF-G1 complex (ClassIII) | | Descriptor: | 12s rRNA, 16s rRNA, 28S ribosomal protein S10, ... | | Authors: | Sharma, M.R, Koripella, R.K, Agrawal, R.K. | | Deposit date: | 2020-01-28 | | Release date: | 2020-08-05 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structures of the human mitochondrial ribosome bound to EF-G1 reveal distinct features of mitochondrial translation elongation.
Nat Commun, 11, 2020
|
|
8E62
 | | STRUCTURE OF Pcryo_0615 from Psychrobacter cryohalolentis, an N-acetyltransferase required to produce Diacetamido-2,3-dideoxy-D-glucuronic acid | | Descriptor: | (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, COENZYME A, SODIUM ION, ... | | Authors: | Hofmeister, D.L, Bockhaus, N.J, Seltzner, C.A, Thoden, J.B, Holden, H.M. | | Deposit date: | 2022-08-22 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
|
|
6H5A
 | |
7Q20
 | | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Ruminococcus gnavus endogalactosidase GH98, ... | | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2021-10-22 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
|
|
9GQO
 | | Structure of a Ca2+ bound phosphoenzyme intermediate in the inward-to-outward transition of Ca2+-ATPase 1 from Listeria monocytogenes | | Descriptor: | CALCIUM ION, Calcium-transporting ATPase lmo0841, MAGNESIUM ION | | Authors: | Hansen, S.B, Flygaard, R.F, Kjaergaard, M, Nissen, P. | | Deposit date: | 2024-09-09 | | Release date: | 2024-10-16 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structure of the [Ca]E2P intermediate of Ca 2+ -ATPase 1 from Listeria monocytogenes.
Embo Rep., 26, 2025
|
|
