4WE1
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600) | | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Gag-Pol polyprotein, MAGNESIUM ION, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2014-09-09 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.
Acs Med.Chem.Lett., 5, 2014
|
|
8JRP
 | | Structure of E6AP-E6 complex in Att3 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRQ
 | | Structure of E6AP-E6 complex in Det1 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRO
 | | Structure of E6AP-E6 complex in Att2 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRR
 | | Structure of E6AP-E6 complex in Det2 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.35 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRN
 | | Structure of E6AP-E6 complex in Att1 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8SUV
 | | CHIP-TPR in complex with the C-terminus of CHIC2 | | Descriptor: | Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION | | Authors: | Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C. | | Deposit date: | 2023-05-13 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
|
|
1XNX
 | | Crystal structure of constitutive androstane receptor | | Descriptor: | 16,17-ANDROSTENE-3-OL, constitutive androstane receptor | | Authors: | Fernandez, E. | | Deposit date: | 2004-10-05 | | Release date: | 2005-01-04 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the murine constitutive androstane receptor complexed to androstenol; a molecular basis for inverse agonism
Mol.Cell, 16, 2004
|
|
4I5P
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
|
|
8SMV
 | | GPR161 Gs heterotrimer | | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hoppe, N, Manglik, A, Harrison, S. | | Deposit date: | 2023-04-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
|
|
4WCC
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
|
|
4WDB
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
|
|
4WBL
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
|
|
4I6H
 | |
4I6F
 | |
4I6B
 | |
6D39
 | |
6D38
 | |
4TW1
 | | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | | Descriptor: | Possible leukocidin subunit | | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | | Deposit date: | 2014-06-29 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
|
|
8SIV
 | | Structure of Compound 2 bound to the CHK1 10-point mutant | | Descriptor: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
8SIX
 | | Structure of Compound 13 bound to the CHK1 10-point mutant | | Descriptor: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
8SIW
 | | Structure of Compound 5 bound to the CHK1 10-point mutant | | Descriptor: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.877 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
5LI1
 | | Structure of a Par3-inhibitory peptide bound to PKCiota core kinase domain | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Soriano, E.V, Purkiss, A.G, McDonald, N.Q. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Dev.Cell, 38, 2016
|
|
4TUO
 | | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | | Deposit date: | 2014-06-24 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
|
|
4UIW
 | | BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
|
|
