7WHF
 
 | | Heimdallarchaeota gelsolin (2DGel) bound to rabbit actin | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Robinson, R.C, Akil, C. | | Deposit date: | 2021-12-30 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical evidence for the emergence of a calcium-regulated actin cytoskeleton prior to eukaryogenesis
Commun Biol, 5, 2022
|
|
3DDQ
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Endicott, J.A. | | Deposit date: | 2008-06-06 | | Release date: | 2008-07-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
|
|
4PO6
 | |
7CQF
 | |
8J6N
 | | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | | Deposit date: | 2023-04-26 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
|
|
5WI6
 | | Human beta-1 tryptase mutant Ile99Cys | | Descriptor: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1 | | Authors: | Eigenbrot, C, Maun, H.R. | | Deposit date: | 2017-07-18 | | Release date: | 2018-04-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer.
J. Biol. Chem., 293, 2018
|
|
5IXD
 | |
5IXI
 | |
7RP3
 | | Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
7RP2
 | | Crystal structure of Kas G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
7RP4
 | | Crystal structure of KRAS G12C in complex with GNE-1952 | | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
5BRO
 | | Crystal structure of modified HexB (modB) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... | | Authors: | Kitakaze, K, Maita, N, Itoh, K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-05-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
|
|
3DDP
 | |
3DOG
 | | Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 | | Descriptor: | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Endicott, J. | | Deposit date: | 2008-07-04 | | Release date: | 2008-09-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine.
Mol.Cancer Ther., 7, 2008
|
|
5ZEQ
 | | Carboxypeptidase B in complex with DD28 | | Descriptor: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | Authors: | Itoh, T, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the selective inhibition of activated thrombin-activatable fibrinolysis inhibitor (TAFIa) by a selenium-containing inhibitor with chloro-aminopyridine as a basic group
Bioorg. Med. Chem. Lett., 28, 2018
|
|
8EEC
 | | Crystal structure of HPK1 citron-homology domain | | Descriptor: | Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION | | Authors: | Wu, P, Lehoux, I, Wang, W. | | Deposit date: | 2022-09-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | HPK1 citron homology domain regulates phosphorylation of SLP76 and modulates kinase domain interaction dynamics
Nat Commun, 15, 2024
|
|
4G3D
 | |
8W6X
 | | Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Hiromoto, T, Tamada, T. | | Deposit date: | 2023-08-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-11-13 | | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
|
|
5EXA
 | | Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ... | | Authors: | Bier, D, Ottmann, C. | | Deposit date: | 2015-11-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
|
|
8S7Z
 | |
5EWZ
 | | Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2 | | Authors: | Bier, D, Ottmann, C. | | Deposit date: | 2015-11-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
|
|
6T5I
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | | Deposit date: | 2019-10-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
|
|
4G3C
 | |
6N4Q
 | | CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2 | | Descriptor: | Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... | | Authors: | Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. | | Deposit date: | 2018-11-20 | | Release date: | 2019-01-23 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
|
|
7Z4T
 | | AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA | | Descriptor: | AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta | | Authors: | Rondeau, J.M, Lehmann, S. | | Deposit date: | 2022-03-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
|
|
