3UDV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3udv by Molmil](/molmil-images/mine/3udv) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
|
|
7LKI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7lki by Molmil](/molmil-images/mine/7lki) | |
8DZJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8dzj by Molmil](/molmil-images/mine/8dzj) | |
6QMD
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6qmd by Molmil](/molmil-images/mine/6qmd) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
|
|
7KDO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7kdo by Molmil](/molmil-images/mine/7kdo) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
|
|
6QME
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6qme by Molmil](/molmil-images/mine/6qme) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
|
|
6QMK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6qmk by Molmil](/molmil-images/mine/6qmk) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
|
|
6QMJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6qmj by Molmil](/molmil-images/mine/6qmj) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
|
|
6QMC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6qmc by Molmil](/molmil-images/mine/6qmc) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid, Kelch-like ECH-associated protein 1 | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
|
|
7KDR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7kdr by Molmil](/molmil-images/mine/7kdr) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.488 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
|
|
4Q0X
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4q0x by Molmil](/molmil-images/mine/4q0x) | |
1EX6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ex6 by Molmil](/molmil-images/mine/1ex6) | |
1EX7
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1ex7 by Molmil](/molmil-images/mine/1ex7) | |
8I3S
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i3s by Molmil](/molmil-images/mine/8i3s) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | Authors: | Li, Z, Yu, F, Cao, S, ZHao, H. | Deposit date: | 2023-01-17 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
|
|
1S7E
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1s7e by Molmil](/molmil-images/mine/1s7e) | Solution structure of HNF-6 | Descriptor: | Hepatocyte nuclear factor 6 | Authors: | Liao, X, Sheng, W. | Deposit date: | 2004-01-29 | Release date: | 2004-12-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the hepatocyte nuclear factor 6alpha and its interaction with DNA. J.Biol.Chem., 279, 2004
|
|
8I3U
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i3u by Molmil](/molmil-images/mine/8i3u) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | Authors: | Li, Z, Yu, F, Cao, S. | Deposit date: | 2023-01-18 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
|
|
4OV9
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ov9 by Molmil](/molmil-images/mine/4ov9) | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | Descriptor: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | Deposit date: | 2014-02-20 | Release date: | 2014-08-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
|
|
4OV4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ov4 by Molmil](/molmil-images/mine/4ov4) | Isopropylmalate synthase binding with ketoisovalerate | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | Deposit date: | 2014-02-20 | Release date: | 2014-08-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
|
|
7CMW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7cmw by Molmil](/molmil-images/mine/7cmw) | Complex structure of PARP1 catalytic domain with pamiparib | Descriptor: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | Authors: | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | Deposit date: | 2020-07-29 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development. J.Med.Chem., 63, 2020
|
|
7FJO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7fjo by Molmil](/molmil-images/mine/7fjo) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
7FJN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7fjn by Molmil](/molmil-images/mine/7fjn) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
7FJS
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7fjs by Molmil](/molmil-images/mine/7fjs) | Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
7WPO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7wpo by Molmil](/molmil-images/mine/7wpo) | Structure of NeoCOV RBD binding to Bat37 ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | Deposit date: | 2022-01-24 | Release date: | 2022-11-30 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors. Nature, 612, 2022
|
|
7WPZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7wpz by Molmil](/molmil-images/mine/7wpz) | Structure of PDF-2180-COV RBD binding to Bat37 ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | Deposit date: | 2022-01-24 | Release date: | 2022-11-30 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors. Nature, 612, 2022
|
|
7E0B
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7e0b by Molmil](/molmil-images/mine/7e0b) | |