5YT2
 
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | | Descriptor: | (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | | Authors: | Takimoto-Kamimura, M, Kakuda, S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor.
Org. Biomol. Chem., 16, 2018
|
|
5KRB
 | | GCNF DNA Binding Domain - Oct4 DR0 Complex | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*CP*TP*CP*T)-3'), Nuclear receptor subfamily 6 group A member 1, ... | | Authors: | Weikum, E.R, Ortlund, E.A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | A Structural Investigation into Oct4 Regulation by Orphan Nuclear Receptors, Germ Cell Nuclear Factor (GCNF), and Liver Receptor Homolog-1 (LRH-1).
J. Mol. Biol., 428, 2016
|
|
6FFE
 | |
6SDJ
 | | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | | Descriptor: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
|
|
9MGP
 | |
7C70
 | | Crystal structure of beta-glycosides-binding protein (W67A) of ABC transporter in an open-liganded state bound to gentiobiose | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
|
|
9MGR
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and compound 51 | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2024-12-11 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
|
|
5KXH
 | | mouse POFUT1 in complex with mouse Factor VII EGF1 and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-20 | | Release date: | 2017-05-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
|
|
9F45
 | | cryo-EM structure of human LST2 bound to human mTOR complex 1 | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ... | | Authors: | Craigie, L.M, Maier, T. | | Deposit date: | 2024-04-26 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5KY5
 | | mouse POFUT1 in complex with EGF(+) and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EGF(+), GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-21 | | Release date: | 2017-05-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
|
|
6MBG
 | |
7C6I
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to sophorose | | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, ACETATE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
|
|
4R1Y
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
6SP2
 | | CryoEM structure of SERINC from Drosophila melanogaster | | Descriptor: | CARDIOLIPIN, Lauryl Maltose Neopentyl Glycol, Membrane protein TMS1d, ... | | Authors: | Pye, V.E, Nans, A, Cherepanov, P. | | Deposit date: | 2019-08-30 | | Release date: | 2020-01-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | A bipartite structural organization defines the SERINC family of HIV-1 restriction factors.
Nat.Struct.Mol.Biol., 27, 2020
|
|
8ZWR
 | | Structure-Based Mechanism and Specificity of Human Galactosyltransferase B3GalT5 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-galactosyltransferase 5, ... | | Authors: | Lo, J.M, Ma, C. | | Deposit date: | 2024-06-13 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Based Mechanism and Specificity of Human Galactosyltransferase beta 3GalT5.
J.Am.Chem.Soc., 147, 2025
|
|
4R2J
 | |
4R88
 | | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine | | Descriptor: | 1,2-ETHANEDIOL, 5-fluorocytosine, ACETIC ACID, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-08-29 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine
To be Published
|
|
7C6T
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form I) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
|
|
7SH2
 | | Structure of the yeast Rad24-RFC loader bound to DNA and the open 9-1-1 clamp | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2021-10-07 | | Release date: | 2022-03-23 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
|
|
4O1X
 | |
8XNF
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 spike protein(6P) in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
|
|
8ZX3
 | | Structure-Based Mechanism and Specificity of Human Galactosyltransferase B3GalT5 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lo, J.M, Ma, C. | | Deposit date: | 2024-06-13 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Based Mechanism and Specificity of Human Galactosyltransferase beta 3GalT5.
J.Am.Chem.Soc., 147, 2025
|
|
6JVU
 | |
6GJ0
 | | Human IMPase with Mn | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | | Authors: | Kraft, L.V, Roe, S.M. | | Deposit date: | 2018-05-15 | | Release date: | 2018-10-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
9GFF
 | | BCR Fab from the subset 1 chronic lymphocytic leukaemia case P10015 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BCR P10015 heavy chain, BCR P10015 light chain | | Authors: | Minici, C, Degano, M. | | Deposit date: | 2024-08-09 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Defective cell-autonomous signalling and antigenic polyreactivity of B-cell receptors from chronic lymphocytic leukaemia stereotyped subset 1
To Be Published
|
|
