4Y1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y1w by Molmil](/molmil-images/mine/4y1w) | |
4YC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yc0 by Molmil](/molmil-images/mine/4yc0) | |
7MCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mck by Molmil](/molmil-images/mine/7mck) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | Descriptor: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R. | Deposit date: | 2021-04-02 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors. Rsc Med Chem, 12, 2021
|
|
5URP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urp by Molmil](/molmil-images/mine/5urp) | Plx2a, an ADP-ribosyltransferase toxin from Paenibacillus larvae | Descriptor: | GLYCEROL, Toxin 2A | Authors: | Ravulapalli, R, Heney, K, Ebeling, J, Genersch, E, Merrill, A.R. | Deposit date: | 2017-02-12 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional characterization of Plx2a, an ADP-ribosyltransferase toxin from Paenibacillus larvae Environ.Microbiol., 2017
|
|
4DRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4drm by Molmil](/molmil-images/mine/4drm) | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4DRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4drq by Molmil](/molmil-images/mine/4drq) | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4DRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4drk by Molmil](/molmil-images/mine/4drk) | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4DRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4drp by Molmil](/molmil-images/mine/4drp) | Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4DRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4drn by Molmil](/molmil-images/mine/4drn) | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4DRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dro by Molmil](/molmil-images/mine/4dro) | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
4TR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tr5 by Molmil](/molmil-images/mine/4tr5) | |
4FML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fml by Molmil](/molmil-images/mine/4fml) | |
2JZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jzv by Molmil](/molmil-images/mine/2jzv) | Solution structure of S. aureus PrsA-PPIase | Descriptor: | Foldase protein prsA | Authors: | Seppala, R, Tossavainen, H, Heikkinen, S, Koskela, H, Kontinen, V, Permi, P. | Deposit date: | 2008-01-21 | Release date: | 2009-01-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the parvulin-type PPIase domain of Staphylococcus aureus PrsA - Implications for the catalytic mechanism of parvulins. Bmc Struct.Biol., 9, 2009
|
|
5EWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ewk by Molmil](/molmil-images/mine/5ewk) | Scabin toxin from Streptomyces Scabies in complex with inhibitor PJ34 | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-Ribosyltransferase Scabin | Authors: | Ravulapalli, R, Lyons, B, Merrill, A.R. | Deposit date: | 2015-11-20 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Scabin, a Novel DNA-acting ADP-ribosyltransferase from Streptomyces scabies. J.Biol.Chem., 291, 2016
|
|
5EWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ewy by Molmil](/molmil-images/mine/5ewy) | Scabin toxin from Streptomyces Scabies in complex with inhibitor P6E | Descriptor: | 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid, Putative ADP-Ribosyltransferase Scabin | Authors: | Ravulapalli, R, Lyons, B, Merrill, A.R. | Deposit date: | 2015-11-22 | Release date: | 2016-03-23 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Scabin, a Novel DNA-acting ADP-ribosyltransferase from Streptomyces scabies. J.Biol.Chem., 291, 2016
|
|
5Y9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y9b by Molmil](/molmil-images/mine/5y9b) | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with DON | Descriptor: | 1,2-ETHANEDIOL, 6-DIAZENYL-5-OXO-L-NORLEUCINE, CALCIUM ION, ... | Authors: | Goel, M, Kumari, S, Pal, R, Gupta, R. | Deposit date: | 2017-08-24 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine To Be Published
|
|
5Y8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8x by Molmil](/molmil-images/mine/5y8x) | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Kumari, S, Goel, M, Pal, R, Gupta, R. | Deposit date: | 2017-08-21 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine To Be Published
|
|
5XLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xlu by Molmil](/molmil-images/mine/5xlu) | High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin | Descriptor: | (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Kumari, S, Goel, M, Gupta, R, Pal, R. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin To Be Published
|
|
5DZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dzq by Molmil](/molmil-images/mine/5dzq) | C3larvin toxin, an ADP-ribosyltransferase from Paenibacillus larvae, Orthorhombic Form | Descriptor: | GLYCEROL, MAGNESIUM ION, Toxin-like protein | Authors: | Dutta, D, Ravulapalli, R, Merrill, A.R. | Deposit date: | 2015-09-26 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Structural variability of C3larvin toxin. Intrinsic dynamics of the alpha / beta fold of the C3-like group of mono-ADP-ribosyltransferase toxins. J. Biomol. Struct. Dyn., 34, 2016
|
|
4OKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4okh by Molmil](/molmil-images/mine/4okh) | Crystal structure of calpain-3 penta-EF-hand domain | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Calpain-3 | Authors: | Karunan Partha, S, Ravulapalli, R, Campbell, R.L, Allingham, J.S, Davies, P.L. | Deposit date: | 2014-01-22 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of calpain-3 penta-EF-hand (PEF) domain - a homodimerized PEF family member with calcium bound at the fifth EF-hand. Febs J., 281, 2014
|
|
4XZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xzj by Molmil](/molmil-images/mine/4xzj) | Crystal structure of ADP-ribosyltransferase Vis in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD(+)--arginine ADP-ribosyltransferase Vis | Authors: | Pfoh, R, Ravulapalli, R, Merrill, A.R, Pai, E.F. | Deposit date: | 2015-02-04 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus. Biochemistry, 54, 2015
|
|
4XZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xzk by Molmil](/molmil-images/mine/4xzk) | |
6NB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nb8 by Molmil](/molmil-images/mine/6nb8) | Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment | Descriptor: | S230 antigen-binding (Fab) fragment, heavy chain, light chain | Authors: | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
|
|
6NB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nb5 by Molmil](/molmil-images/mine/6nb5) | Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment | Descriptor: | LCA60 antigen-binding (Fab) fragment, heavy chain, light chain | Authors: | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
|
|
6NB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nb7 by Molmil](/molmil-images/mine/6nb7) | SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S230 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
|
|