6EIJ
 
 | | DYRK1A in complex with HG-8-60-1 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Rothweiler, U. | | Deposit date: | 2017-09-19 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
|
|
3T8R
 | | Crystal structure of Staphylococcus aureus CymR | | Descriptor: | Staphylococcus aureus CymR | | Authors: | He, C, Ji, Q. | | Deposit date: | 2011-08-01 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
|
|
3T8T
 | | Crystal structure of Staphylococcus aureus CymR oxidized form | | Descriptor: | Staphylococcus aureus CymR (oxidized form) | | Authors: | He, C, Ji, Q. | | Deposit date: | 2011-08-01 | | Release date: | 2012-05-16 | | Last modified: | 2012-07-18 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
|
|
3ZTX
 | | Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen. | | Descriptor: | 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N. | | Deposit date: | 2011-07-12 | | Release date: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen.
Acs Chem.Biol., 7, 2012
|
|
5ET0
 | | Crystal structure of Myo3b-ARB2 in complex with Espin1-AR | | Descriptor: | Espin, Myosin-IIIb | | Authors: | Liu, H, Li, J, Liu, W, Zhang, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
|
|
5ET1
 | | Crystal structure of Myo3b-ARB1 in complex with Espin1-AR | | Descriptor: | Espin, GLYCEROL, Myosin-IIIb | | Authors: | Liu, H, Li, J, liu, W, Zhang, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
|
|
7KQL
 | | Anti-Tim3 antibody Fab complex | | Descriptor: | GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ... | | Authors: | Deng, X.A, West, S.M, Strop, P. | | Deposit date: | 2020-11-16 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
|
|
7F65
 | | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | | Descriptor: | BENZOIC ACID, Cocaine esterase, SULFATE ION | | Authors: | Ouyang, P.F, Zhang, Y, Tong, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6UUP
 | | Structure of anti-hCD33 conditional scFv | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-CD33 conditional scFv, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kimberlin, C.R, Park, S. | | Deposit date: | 2019-10-31 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.20001864 Å) | | Cite: | Direct control of CAR T cells through small molecule-regulated antibodies.
Nat Commun, 12, 2021
|
|
6UY3
 | |
6WKW
 | |
5TVM
 | | Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer | | Descriptor: | 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Volkov, O.A, Chen, Z, Tomchick, D.R, Phillips, M.A. | | Deposit date: | 2016-11-09 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.408 Å) | | Cite: | Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
|
|
5TVF
 | | Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with inhibitor CGP 40215 | | Descriptor: | 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, ... | | Authors: | Phillips, M.A, Volkov, O.A, Chen, Z, Tomchick, D.R. | | Deposit date: | 2016-11-08 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
|
|
5TVO
 | | Crystal structure of Trypanosoma brucei AdoMetDC-delta26 monomer | | Descriptor: | PYRUVIC ACID, S-adenosylmethionine decarboxylase proenzyme, SODIUM ION | | Authors: | Volkov, O.A, Ariagno, C, Chen, Z, Tomchick, D.R, Phillips, M.A. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
|
|
5WYG
 | | The crystal structure of the apo form of Mtb MazF | | Descriptor: | Probable endoribonuclease MazF7 | | Authors: | Xie, W, Chen, R, Tu, J. | | Deposit date: | 2017-01-13 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.356 Å) | | Cite: | Structure of the MazF-mt9 toxin, a tRNA-specific endonuclease from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 486, 2017
|
|
3K5V
 | | Structure of Abl kinase in complex with imatinib and GNF-2 | | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | | Deposit date: | 2009-10-08 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
|
|
5YKO
 | |
5YKN
 | | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | | Authors: | Yang, Z, Du, J. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
|
|
6A6X
 | | The crystal structure of the Mtb MazE-MazF-mt9 complex | | Descriptor: | Antitoxin MazE7, Probable endoribonuclease MazF7, SULFATE ION | | Authors: | Xie, W, Chen, R, Tu, J. | | Deposit date: | 2018-06-29 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Characterization of the Cognate and Heterologous Interactions of the MazEF-mt9 TA System.
Acs Infect Dis., 5, 2019
|
|
6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2019-09-23 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.45 Å) | | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6CIS
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
|
|
6CIY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | | Descriptor: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
|
|
6CD4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | | Descriptor: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-08 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
|
|
6CD5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-08 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
|
|
6CJ2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
Acs Chem.Biol., 13, 2018
|
|
