5KFH
 
 | |
5KFS
 | |
7EOG
 | |
5ND3
 | | Microtubule-bound MKLP2 motor domain in the with no nucleotide | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | | Deposit date: | 2017-03-07 | | Release date: | 2017-10-04 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
|
|
5VCX
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (UNTREATED) IN COMPLEX WITH SARACATINIB | | Descriptor: | 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
|
|
7YVO
 | | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | | Deposit date: | 2022-08-19 | | Release date: | 2023-06-28 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
|
|
5VEM
 | | Human ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ... | | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
FEBS J., 284, 2017
|
|
6W2M
 | |
8GWA
 | | Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | | Authors: | Chen, J.H, Zhang, X. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium.
J Integr Plant Biol, 65, 2023
|
|
9FDB
 | | Co-crystal structure of Galectin-3 with an inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-cyclopropyl-~{N}-(2-hydroxyethyl)-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2024-05-16 | | Release date: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
|
|
8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
6VVO
 | | Structure of the human clamp loader (Replication Factor C, RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen, PCNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Gaubitz, C, Liu, X, Stone, N.P, Kelch, B.A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-02-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the human clamp loader bound to the sliding clamp: a further twist on AAA+ mechanism
Biorxiv, 2020
|
|
5NPQ
 | | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | Authors: | Shen, M, Perez-Dorado, I, Fedoryshchak, R, Tate, E.W. | | Deposit date: | 2017-04-18 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound.
To be published
|
|
6JQ0
 | | CryoEM structure of Abo1 Walker B (E372Q) mutant hexamer - ATP complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized AAA domain-containing protein C31G5.19, ... | | Authors: | Cho, C, Jang, J, Song, J.J. | | Deposit date: | 2019-03-28 | | Release date: | 2019-12-25 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone.
Nat Commun, 10, 2019
|
|
7P7Q
 | | E. faecalis 70S ribosome bound by PoxtA-EQ2, high-resolution combined volume | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Crowe-McAuliffe, C, Wilson, D.N. | | Deposit date: | 2021-07-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
|
|
8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8HG1
 | | The structure of MPXV polymerase holoenzyme in replicating state | | Descriptor: | DNA (25-MER), DNA (38-MER), DNA polymerase, ... | | Authors: | Peng, Q, Xie, Y.F, Kuai, L, Wang, H, Qi, J.X, Gao, F, Shi, Y. | | Deposit date: | 2022-11-13 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of monkeypox virus DNA polymerase holoenzyme.
Science, 379, 2023
|
|
4CEG
 | | Crystal structure of Aurora A 122-403 C290A, C393A bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CHLORIDE ION, ... | | Authors: | Burgess, S.G, Bayliss, R. | | Deposit date: | 2013-11-11 | | Release date: | 2015-01-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of C290A:C393A Aurora a Provides Structural Insights Into Kinase Regulation.
Acta Crystallogr.,Sect.F, 71, 2015
|
|
8BDS
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 48 | | Descriptor: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
|
|
7Z0N
 | | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators | | Descriptor: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | | Authors: | Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A. | | Deposit date: | 2022-02-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
|
|
7E3W
 | | Metallo beta-lactamase fold protein (cAMP bound) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Lee, K.-Y, Kim, D.-G, Lee, B.-J. | | Deposit date: | 2021-02-09 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5KT2
 | | Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mg2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.488 Å) | | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
|
|
5KJ2
 | | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | | Descriptor: | Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION | | Authors: | Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C. | | Deposit date: | 2016-06-17 | | Release date: | 2017-09-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
|
|
9AR7
 | |
1E2Q
 | | Human thymidylate kinase complexed with TP5A and a magnesium-ion | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | | Deposit date: | 2000-05-23 | | Release date: | 2001-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate
Structure, 8, 2000
|
|
