5AY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ay7 by Molmil](/molmil-images/mine/5ay7) | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | Descriptor: | xylanase | Authors: | Zheng, Y, Li, Y, Liu, W, Guo, R.T. | Deposit date: | 2015-08-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase. J.Struct.Biol., 193, 2016
|
|
7SJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sjy by Molmil](/molmil-images/mine/7sjy) | |
7UYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyu by Molmil](/molmil-images/mine/7uyu) | Crystal structure of TYK2 kinase domain in complex with compound 30 | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyr by Molmil](/molmil-images/mine/7uyr) | Crystal structure of TYK2 kinase domain in complex with compound 12 | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyw by Molmil](/molmil-images/mine/7uyw) | Crystal structure of JAK2 kinase domain in complex with compound 30 | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyt by Molmil](/molmil-images/mine/7uyt) | Crystal structure of TYK2 kinase domain in complex with compound 25 | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyv by Molmil](/molmil-images/mine/7uyv) | Crystal structure of JAK3 kinase domain in complex with compound 25 | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uys by Molmil](/molmil-images/mine/7uys) | Crystal structure of TYK2 kinase domain in complex with compound 16 | Descriptor: | 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
|
|
6WR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wr2 by Molmil](/molmil-images/mine/6wr2) | |
5CUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cux by Molmil](/molmil-images/mine/5cux) | Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi | Descriptor: | Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2- | Authors: | Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
|
|
5DBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dbg by Molmil](/molmil-images/mine/5dbg) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ | Descriptor: | Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, W.D, Hu, Y.M, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5CUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cuv by Molmil](/molmil-images/mine/5cuv) | Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION | Authors: | Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
|
|
5CUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cuw by Molmil](/molmil-images/mine/5cuw) | |
5D4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4y by Molmil](/molmil-images/mine/5d4y) | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase | Authors: | Zheng, Y, Guo, R.T. | Deposit date: | 2015-08-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase. J.Struct.Biol., 193, 2016
|
|
3QZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qz0 by Molmil](/molmil-images/mine/3qz0) | Structure of Treponema denticola Factor H Binding protein (FhbB), selenomethionine derivative | Descriptor: | Factor H binding protein, GLYCEROL, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Heroux, A, Bell, J.K, Marconi, R.T, Conrad, D.H, Burgner, J.W. | Deposit date: | 2011-03-04 | Release date: | 2012-03-07 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of factor H-binding protein B (FhbB) of the periopathogen, Treponema denticola: insights into progression of periodontal disease. J.Biol.Chem., 287, 2012
|
|
3RSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsd by Molmil](/molmil-images/mine/3rsd) | |
3RSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsp by Molmil](/molmil-images/mine/3rsp) | STRUCTURE OF THE P93G VARIANT OF RIBONUCLEASE A | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Schultz, L.W, Hargraves, S.R, Klink, T.A, Raines, R.T. | Deposit date: | 1997-10-20 | Release date: | 1998-04-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and stability of the P93G variant of ribonuclease A. Protein Sci., 7, 1998
|
|
3SD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sd3 by Molmil](/molmil-images/mine/3sd3) | The structure of the tetrahydrofolate riboswitch containing a U25C mutation | Descriptor: | IRIDIUM HEXAMMINE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Tetrahydrofolate riboswitch | Authors: | Reyes, F.E, Trausch, J.J, Ceres, P, Batey, R.T. | Deposit date: | 2011-06-08 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structure of a tetrahydrofolate-sensing riboswitch reveals two ligand binding sites in a single aptamer. Structure, 19, 2011
|
|
3RSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsk by Molmil](/molmil-images/mine/3rsk) | |
3R15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r15 by Molmil](/molmil-images/mine/3r15) | Structure Treponema Denticola Factor H Binding Protein | Descriptor: | Factor H binding protein, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T. | Deposit date: | 2011-03-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structure Treponema Denticola Factor H Binding Protein To be Published
|
|
3QTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qtl by Molmil](/molmil-images/mine/3qtl) | |
3TSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tsr by Molmil](/molmil-images/mine/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
|
|
5CUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cuy by Molmil](/molmil-images/mine/5cuy) | Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION | Authors: | Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
|
|
5DBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dbf by Molmil](/molmil-images/mine/5dbf) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH | Descriptor: | Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
1VWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vwn by Molmil](/molmil-images/mine/1vwn) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 4.8 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
|
|