7L73
 
 | | Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1 | | Descriptor: | 11-cyclopentyl-2-({2-ethoxy-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 testis-specific protein | | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-12-25 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
2KC3
 | |
2H3H
 | |
7LEJ
 | | Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib | | Descriptor: | Bromodomain testis-specific protein, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
7LEL
 | |
7LEM
 | | Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein | | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
7LEK
 | | Crystal structure of the second bromodomain (BD2) of human BRDT bound to ERK5-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-({2-ethoxy-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 testis-specific protein, ... | | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
3PKQ
 | | Q83D Variant of S. Enterica RmlA with dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
|
|
7K6R
 | |
7K6S
 | | Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) | | Descriptor: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
|
|
7KDW
 | |
2B9Y
 | |
2B9X
 | |
2BAC
 | | Crystal structure of CLA-producing fatty acid isomerase from P. acnes | | Descriptor: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Rudolph, M.G, Liavonchanka, A. | | Deposit date: | 2005-10-14 | | Release date: | 2006-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
7KDZ
 | |
2B9W
 | |
2BAB
 | | Crystal structure of CLA-producing fatty acid isomerase from P. acnes | | Descriptor: | (10E,12Z)-OCTADECA-10,12-DIENOIC ACID, 1,4-BUTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rudolph, M.G, Liavonchanka, A. | | Deposit date: | 2005-10-14 | | Release date: | 2006-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2BA9
 | |
1K0Z
 | | Crystal Structure of the PvuII endonuclease with Pr3+ and SO4 ions bound in the active site at 2.05A. | | Descriptor: | PRASEODYMIUM ION, SULFATE ION, Type II restriction enzyme PvuII | | Authors: | Spyridaki, A, Athanasiadis, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A. | | Deposit date: | 2001-09-21 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: |
|
|
3TSR
 | | X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ... | | Authors: | Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1999 Å) | | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
|
|
2RGN
 | | Crystal Structure of p63RhoGEF complex with Galpha-q and RhoA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ... | | Authors: | Shankaranarayanan, A, Nance, M.R, Tesmer, J.J.G. | | Deposit date: | 2007-10-04 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of Galphaq-p63RhoGEF-RhoA complex reveals a pathway for the activation of RhoA by GPCRs.
Science, 318, 2007
|
|
6ISW
 | | Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12 | | Descriptor: | DNA (22-MER), POTASSIUM ION | | Authors: | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | | Deposit date: | 2018-11-19 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
|
|
6IP3
 | | Structure of human telomeric DNA at 1.4 Angstroms resolution | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | | Authors: | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
|
|
6IP7
 | | Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11 | | Descriptor: | DNA (22-MER), POTASSIUM ION | | Authors: | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | | Deposit date: | 2018-11-02 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
|
|
1VRH
 | | HRV14/SDZ 880-061 COMPLEX | | Descriptor: | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14 | | Authors: | Oren, D.A, Zhang, A, Arnold, E. | | Deposit date: | 1996-02-26 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
|
|
