6YRN
 
 | |
6SNN
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzoic acid | | Descriptor: | BENZOIC ACID, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Oebbeke, M, Merkl, S, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-08-27 | | Release date: | 2020-09-09 | | Last modified: | 2020-12-30 | | Method: | X-RAY DIFFRACTION (1.817 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
5IWU
 | |
6YS4
 | |
7PVT
 | |
6MRE
 | |
6MRG
 | | FAAH bound to non covalent inhibitor | | Descriptor: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | | Authors: | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | | Deposit date: | 2018-10-12 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.
J Chem Theory Comput, 14, 2018
|
|
7NG7
 | | Src kinase bound to eCF506 trapped in inactive conformation | | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | | Authors: | Lietha, D, Unciti-Broceta, A. | | Deposit date: | 2021-02-08 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
|
|
8VZV
 | | Human TDO (hTDO) in complex with LM10 | | Descriptor: | 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Ishigami, I, Yeh, S.-R, Lewis-Ballester, A. | | Deposit date: | 2024-02-12 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
|
|
2UU9
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL with cmo5U in position 34 bound to an mRNA with a GUG-codon in the A-site and paromomycin. | | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Weixlbaumer, A, Murphy, F.V, Dziergowska, A, Malkiewicz, A, Vendeix, F.A.P, Agris, P.F, Ramakrishnan, V. | | Deposit date: | 2007-03-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanism for expanding the decoding capacity of transfer RNAs by modification of uridines.
Nat. Struct. Mol. Biol., 14, 2007
|
|
7PVW
 | |
5YO1
 | | Structure of ePepN E298A mutant in complex with Puromycin | | Descriptor: | Aminopeptidase N, GLYCEROL, PUROMYCIN, ... | | Authors: | Ganji, R.J, Reddi, R, Marapaka, A.K, Addlagatta, A. | | Deposit date: | 2017-10-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis
Int.J.Biol.Macromol., 165, 2020
|
|
3MHS
 | | Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ... | | Authors: | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | | Deposit date: | 2010-04-08 | | Release date: | 2010-04-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
|
|
2UUC
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL with cmo5U in position 34 bound to an mRNA with a GUA-codon in the A-site and paromomycin. | | Descriptor: | 16S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Weixlbaumer, A, Murphy, F.V, Dziergowska, A, Malkiewicz, A, Vendeix, F.A.P, Agris, P.F, Ramakrishnan, V. | | Deposit date: | 2007-03-01 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanism for expanding the decoding capacity of transfer RNAs by modification of uridines.
Nat. Struct. Mol. Biol., 14, 2007
|
|
5H56
 | | ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | | Deposit date: | 2016-11-04 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
|
|
3MIB
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite | | Descriptor: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | Deposit date: | 2010-04-10 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
|
|
6BG4
 | | Caspase-3 Mutant- T152D | | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, CHLORIDE ION, ... | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-27 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
|
|
6F38
 | | Cryo-EM structure of two dynein tail domains bound to dynactin and HOOK3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | | Authors: | Lau, C.K, Urnavicius, L, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | | Deposit date: | 2017-11-28 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Nature, 554, 2018
|
|
3MJT
 | | Structure of A-type Ketoreductases from Modular Polyketide Synthase | | Descriptor: | AmphB, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, J, Taylor, C.A, Piasecki, S.K, Keatinge-Clay, A.T. | | Deposit date: | 2010-04-13 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Analysis of A-Type Ketoreductases from the Amphotericin Modular Polyketide Synthase.
Structure, 18, 2010
|
|
6F60
 | | The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand | | Descriptor: | Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2017-12-04 | | Release date: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules.
Inorg Chem, 57, 2018
|
|
6YR7
 | | 14-3-3 sigma in complex with hDMX-342+367 peptide | | Descriptor: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein Mdm4 | | Authors: | Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C. | | Deposit date: | 2020-04-19 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
|
|
6N0T
 | | tRNA ligase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.511 Å) | | Cite: | Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
|
|
5J03
 | |
6YR5
 | | 14-3-3 sigma in complex with hDMX-367 peptide | | Descriptor: | 14-3-3 protein sigma, Protein Mdm4, SULFATE ION | | Authors: | Wolter, M, Srdanovic, S, Ottman, C, Warriner, S, Wilson, A. | | Deposit date: | 2020-04-19 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
|
|
6F76
 | | Antibody derived (Abd-8) small molecule binding to KRAS. | | Descriptor: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018
|
|
