5SD9
 
 | |
6GW0
 | |
6DXY
 | | Murine N-acylethanolamine-hydrolyzing acid amidase (NAAA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6A6Y
 | |
9MVP
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro)in Complex with Inhibitor AVI-4516 | | Descriptor: | (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | | Authors: | Diallo, A, Gumpena, R, Verba, K. | | Deposit date: | 2025-01-15 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy.
Sci Adv, 11, 2025
|
|
8IJL
 | | Cyo-EM structure of wildtype non-gastric proton pump in the presence of Na+, AlF and ADP | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | Authors: | Abe, K. | | Deposit date: | 2023-02-27 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | An unusual conformation from Na + -sensitive non-gastric proton pump mutants reveals molecular mechanisms of cooperative Na + -binding.
Biochim Biophys Acta Mol Cell Res, 1870, 2023
|
|
5GT1
 | | crystal structure of cbpa from L. salivarius REN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ... | | Authors: | Jiang, L, Ren, F. | | Deposit date: | 2016-08-18 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
|
|
5ZYU
 | | The crystal structure of humanMGME1 with single strand DNA2 | | Descriptor: | DNA (5'-D(P*CP*AP*AP*CP*AP*AP*CP*A)-3'), GLYCEROL, Mitochondrial genome maintenance exonuclease 1 | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
|
|
9GDF
 | |
8RG5
 | | Crystal structure of PbFucA from Planctomycetes bacterium K23_9 in P 4 21 2 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glycoside-hydrolase family GH114 TIM-barrel domain-containing protein | | Authors: | Perez-Cruz, C, Moraleda-Montoya, A, Liebana, R, Lorizate, M, Arrizabalaga, U, Garcia-Alija, M, Terrones, O, Contreras, F.X, Guerin, M.E, Trastoy, B, Alonso-Saez, L. | | Deposit date: | 2023-12-13 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Mechanisms of recalcitrant fucoidan breakdown in marine Planctomycetota.
Nat Commun, 15, 2024
|
|
8WB1
 | | Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D) | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone, GTPase KRas, ... | | Authors: | Zhou, L, Zhang, R, Shuai, T.B. | | Deposit date: | 2023-09-08 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D)
To Be Published
|
|
6QHR
 | | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
|
|
6JX4
 | |
6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
|
|
6KNG
 | | CryoEM map and model of Nitrite Reductase at pH 8.1 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | | Authors: | Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | 2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
|
|
7BZX
 | | DXPS | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic | | Authors: | Lau, W.C.Y. | | Deposit date: | 2020-04-28 | | Release date: | 2021-11-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
|
|
8ZGG
 | | Human lysine O-link glycosylation complex, LH3/ColGalT1 with bound UDP-glucose | | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Peng, J, Li, W, Yao, D, Xia, Y, Wang, Q, Cai, Y, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Cao, Y. | | Deposit date: | 2024-05-09 | | Release date: | 2025-03-19 | | Last modified: | 2025-03-26 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | The structural basis for the human procollagen lysine hydroxylation and dual-glycosylation.
Nat Commun, 16, 2025
|
|
8IQN
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3 | | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor | | Authors: | Kakuda, S. | | Deposit date: | 2023-03-17 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.639 Å) | | Cite: | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
To Be Published
|
|
9GOW
 | |
5X49
 | | Crystal Structure of Human mitochondrial X-prolyl Aminopeptidase (XPNPEP3) | | Descriptor: | (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Singh, R, Kumar, A, Ghosh, B, Jamdar, S, Makde, R.D. | | Deposit date: | 2017-02-10 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of the human aminopeptidase XPNPEP3 and comparison of its in vitro activity with Icp55 orthologs: Insights into diverse cellular processes.
J. Biol. Chem., 292, 2017
|
|
6HLL
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
|
|
5XAW
 | | Parallel homodimer structures of voltage-gated sodium channel beta4 for cell-cell adhesion | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, Sodium channel subunit beta-4, ... | | Authors: | Shimizu, H, Yokoyama, S. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Parallel homodimer structures of the extracellular domains of the voltage-gated sodium channel beta 4 subunit explain its role in cell-cell adhesion
J. Biol. Chem., 292, 2017
|
|
8WPL
 | | Cryo-EM structure of the human TRPC1/C4 heteromer | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Won, J, Jeong, H, Lee, H.H. | | Deposit date: | 2023-10-10 | | Release date: | 2024-10-16 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Cryo-EM structure of the heteromeric TRPC1/TRPC4 channel.
Nat.Struct.Mol.Biol., 32, 2025
|
|
6QQN
 | | Tubulin-TH588 complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B. | | Deposit date: | 2019-02-18 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells.
Cell Syst, 9, 2019
|
|
6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Wu, Q, Wang, S, Zhou, P. | | Deposit date: | 2018-08-07 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
|
|
