4L0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l0t by Molmil](/molmil-images/mine/4l0t) | Tankyrase 2 in complex with 4'-nitro flavone | Descriptor: | 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l2g by Molmil](/molmil-images/mine/4l2g) | Tankyrase 2 in complex with 6- fluoro flavone | Descriptor: | 6-fluoro-2-phenyl-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l0s by Molmil](/molmil-images/mine/4l0s) | Tankyrase 2 in complex with 4'-cyano flavone | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzonitrile, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l10 by Molmil](/molmil-images/mine/4l10) | Tankyrase 2 in complex with 4'-methoxy flavone | Descriptor: | 2-(4-methoxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l31 by Molmil](/molmil-images/mine/4l31) | Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate | Descriptor: | GLYCEROL, SULFATE ION, Tankyrase-2, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4KZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kzu by Molmil](/molmil-images/mine/4kzu) | Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone | Descriptor: | 2-(4-bromophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-30 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l32 by Molmil](/molmil-images/mine/4l32) | Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one | Descriptor: | 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l09 by Molmil](/molmil-images/mine/4l09) | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l34 by Molmil](/molmil-images/mine/4l34) | Tankyrase 2 in complex with 4'-tetrazole flavone | Descriptor: | 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
1NW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nw2 by Molmil](/molmil-images/mine/1nw2) | The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius | Descriptor: | ACETATE ION, CACODYLATE ION, THIOREDOXIN, ... | Authors: | Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M. | Deposit date: | 2003-02-05 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius J.Bacteriol., 185, 2003
|
|
1NSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nsw by Molmil](/molmil-images/mine/1nsw) | The Crystal Structure of the K18G Mutant of the thioredoxin from Alicyclobacillus acidocaldarius | Descriptor: | THIOREDOXIN | Authors: | Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M. | Deposit date: | 2003-01-28 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius J.Bacteriol., 185, 2003
|
|
1ZQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zq5 by Molmil](/molmil-images/mine/1zq5) | Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | Descriptor: | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X. | Deposit date: | 2005-05-18 | Release date: | 2006-12-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J.Biol.Chem., 282, 2007
|
|
5XHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xhz by Molmil](/molmil-images/mine/5xhz) | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | Authors: | Liu, W, Yang, W. | Deposit date: | 2017-04-25 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.319 Å) | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85. Biochemistry, 57, 2018
|
|
4W5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w5s by Molmil](/molmil-images/mine/4w5s) | Tankyrase in complex with compound | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | Deposit date: | 2014-08-18 | Release date: | 2015-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
|
|
4D6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d6z by Molmil](/molmil-images/mine/4d6z) | |
4D7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d7d by Molmil](/molmil-images/mine/4d7d) | Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-22 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
|
|
4D75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d75 by Molmil](/molmil-images/mine/4d75) | Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-19 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
|
|
4D78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d78 by Molmil](/molmil-images/mine/4d78) | Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-21 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
|
|
8ICM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icm by Molmil](/molmil-images/mine/8icm) | DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR), MNCL2 (5 MILLIMOLAR), AND AMMONIUM SULFATE (75 MILLIMOLAR) | Descriptor: | DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ... | Authors: | Pelletier, H, Sawaya, M.R. | Deposit date: | 1996-01-04 | Release date: | 1996-11-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta. Biochemistry, 35, 1996
|
|
8ICH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ich by Molmil](/molmil-images/mine/8ich) | |
8ICJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icj by Molmil](/molmil-images/mine/8icj) | |
8ICU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icu by Molmil](/molmil-images/mine/8icu) | |
8ICV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icv by Molmil](/molmil-images/mine/8icv) | |
8ICX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icx by Molmil](/molmil-images/mine/8icx) | |
8ICY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8icy by Molmil](/molmil-images/mine/8icy) | |