3FZT
 
 | | Crystal structure of PYK2 complexed with PF-4618433 | | Descriptor: | 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
6TFM
 | | Frizzled8 CRD | | Descriptor: | Frizzled-8 | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
|
|
3PVW
 | |
3FYH
 | | Recombinase in complex with ADP and metatungstate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair and recombination protein radA, MAGNESIUM ION, ... | | Authors: | Li, Y, He, Y, Luo, Y. | | Deposit date: | 2009-01-22 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an archaeal Rad51 homologue in complex with a metatungstate inhibitor.
Biochemistry, 48, 2009
|
|
6JIB
 | | Human MTHFD2 in complex with DS44960156 | | Descriptor: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
|
|
6HVE
 | | Kinase domain of cSrc in complex with compound 9 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | | Authors: | Keul, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-10 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
|
|
6HXW
 | | structure of human CD73 in complex with antibody IPH53 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, IPH53 heavy chain, ... | | Authors: | Roussel, A, Amigues, B. | | Deposit date: | 2018-10-18 | | Release date: | 2019-08-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Blocking Antibodies Targeting the CD39/CD73 Immunosuppressive Pathway Unleash Immune Responses in Combination Cancer Therapies.
Cell Rep, 27, 2019
|
|
3FUL
 | |
3FZO
 | | Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | | Descriptor: | Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
3FZR
 | | Crystal structure of PYK2 complexed with PF-431396 | | Descriptor: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
6HCL
 | | Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2018-08-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
|
|
3FUR
 | | Crystal Structure of PPARg in complex with INT131 | | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | | Authors: | Wang, Z, Liu, J, Walker, N. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
|
|
6HED
 | | PAN-proteasome in state 5 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.95 Å) | | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
3OU4
 | | MDR769 HIV-1 protease complexed with TF/PR hepta-peptide | | Descriptor: | HIV-1 protease, TF/PR substrate peptide | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
|
|
3G5D
 | | Kinase domain of cSrc in complex with Dasatinib | | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Grutter, C, Kluter, S, Rauh, D. | | Deposit date: | 2009-02-05 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
|
|
3OU3
 | | MDR769 HIV-1 protease complexed with PR/RT hepta-peptide | | Descriptor: | HIV-1 protease, PR/RT substrate peptide | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
|
|
3OUC
 | | MDR769 HIV-1 protease complexed with p2/NC hepta-peptide | | Descriptor: | MDR HIV-1 protease, p2/NC substrate peptide | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
|
|
3OWJ
 | | Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor | | Descriptor: | 9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one, CSNK2A1 protein | | Authors: | Reiser, J.-B, Prudent, R, Cochet, C. | | Deposit date: | 2010-09-20 | | Release date: | 2010-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010
|
|
4GNU
 | | Crystal structure of GES-5 carbapenemase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2012-08-17 | | Release date: | 2013-07-24 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
|
|
3OUB
 | | MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide | | Descriptor: | MDR HIV-1 protease, NC/p1 substrate peptide | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
|
|
3SC1
 | | Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | | Authors: | Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C. | | Deposit date: | 2011-06-06 | | Release date: | 2011-10-26 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
|
|
6JID
 | | Human MTHFD2 in complex with Compound 1 | | Descriptor: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
|
|
6JKE
 | | Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Mathur, S, Deshmukh, P. | | Deposit date: | 2019-02-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
|
|
3OUD
 | | MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide | | Descriptor: | CA/p2 substrate peptide, MDR HIV-1 protease | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
|
|
6RFX
 | | Crystal structure of Eis2 from Mycobacterium abscessus | | Descriptor: | ACETATE ION, CITRIC ACID, Eis2, ... | | Authors: | Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L. | | Deposit date: | 2019-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
|
|
