5K16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k16 by Molmil](/molmil-images/mine/5k16) | |
5K1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k1b by Molmil](/molmil-images/mine/5k1b) | |
5K19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k19 by Molmil](/molmil-images/mine/5k19) | |
5Z9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9g by Molmil](/molmil-images/mine/5z9g) | Crystal structure of KAI2 | Descriptor: | Probable esterase KAI2 | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | Deposit date: | 2018-02-03 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
|
|
5Z9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9h by Molmil](/molmil-images/mine/5z9h) | Crystal structure of KAI2_ply2(A219V) | Descriptor: | Probable esterase KAI2 | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | Deposit date: | 2018-02-03 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
|
|
7CHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cht by Molmil](/molmil-images/mine/7cht) | Crystal structure of TTK kinase domain in complex with compound 30 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7chm by Molmil](/molmil-images/mine/7chm) | Crystal structure of TTK kinase domain in complex with compound 8 | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7chn by Molmil](/molmil-images/mine/7chn) | Crystal structure of TTK kinase domain in complex with compound 9 | Descriptor: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CLH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7clh by Molmil](/molmil-images/mine/7clh) | Crystal structure of TTK kinase domain in complex with compound 19 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cja by Molmil](/molmil-images/mine/7cja) | Crystal structure of TTK kinase domain in complex with compound 28 | Descriptor: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-09 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cil by Molmil](/molmil-images/mine/7cil) | Crystal structure of TTK kinase domain in complex with compound 7 | Descriptor: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
2G96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g96 by Molmil](/molmil-images/mine/2g96) | |
2G95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g95 by Molmil](/molmil-images/mine/2g95) | |
2G97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g97 by Molmil](/molmil-images/mine/2g97) | |
1Y4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y4s by Molmil](/molmil-images/mine/1y4s) | Conformation rearrangement of heat shock protein 90 upon ADP binding | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein htpG, MAGNESIUM ION | Authors: | Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H. | Deposit date: | 2004-12-01 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding. Structure, 13, 2005
|
|
1Y4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y4u by Molmil](/molmil-images/mine/1y4u) | Conformation rearrangement of heat shock protein 90 upon ADP binding | Descriptor: | Chaperone protein htpG | Authors: | Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H. | Deposit date: | 2004-12-01 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding. Structure, 13, 2005
|
|
5ZHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zhf by Molmil](/molmil-images/mine/5zhf) | Structure of VanYB unbound | Descriptor: | D-alanyl-D-alanine carboxypeptidase, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-03-13 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
|
|
4WXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wxr by Molmil](/molmil-images/mine/4wxr) | |
5ZRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zrd by Molmil](/molmil-images/mine/5zrd) | Tyrosinase from Burkholderia thailandensis (BtTYR) at low pH condition | Descriptor: | CITRIC ACID, COPPER (II) ION, GLYCEROL, ... | Authors: | Lee, S, Son, H.-F, Kim, K.-J. | Deposit date: | 2018-04-24 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Highly Efficient Production of Catechol Derivatives at Acidic pH by Tyrosinase from Burkholderia thailandensis Acs Catalysis, 8, 2018
|
|
5ZRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zre by Molmil](/molmil-images/mine/5zre) | Tyrosinase from Burkholderia thailandensis (BtTYR) at high pH condition | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN ATOM, ... | Authors: | Lee, S, Son, H.-F, Kim, K.-J. | Deposit date: | 2018-04-24 | Release date: | 2018-10-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Highly Efficient Production of Catechol Derivatives at Acidic pH by Tyrosinase from Burkholderia thailandensis Acs Catalysis, 8, 2018
|
|
6A6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a6a by Molmil](/molmil-images/mine/6a6a) | VanYB in complex with D-Alanine | Descriptor: | ACETATE ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-06-27 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
|
|
7LFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lfo by Molmil](/molmil-images/mine/7lfo) | Protein Tyrosine Phosphatase 1B | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.M. | Deposit date: | 2021-01-18 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. Acs Synth Biol, 10, 2021
|
|
5ZHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zhw by Molmil](/molmil-images/mine/5zhw) | VanYB in complex with D-Alanine-D-Alanine | Descriptor: | COPPER (II) ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-03-13 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
|
|
6IWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iwd by Molmil](/molmil-images/mine/6iwd) | The PTP domain of human PTPN14 in a complex with the CR3 domain of HPV18 E7 | Descriptor: | CHLORIDE ION, HPV18 E7, PHOSPHATE ION, ... | Authors: | Yun, H.-Y, Kim, S.J, Ku, B. | Deposit date: | 2018-12-05 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus. Plos Biol., 17, 2019
|
|
6YEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yej by Molmil](/molmil-images/mine/6yej) | Cryo-EM structure of the Full-length disease type human Huntingtin | Descriptor: | Huntingtin | Authors: | Tame, G, Jung, T, Dal Perraro, M, Hebert, H, Song, J. | Deposit date: | 2020-03-24 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (18.200001 Å) | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain. Structure, 28, 2020
|
|