8IG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig5 by Molmil](/molmil-images/mine/8ig5) | Crystal structure of SARS main protease in complex with GC376 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
|
|
8IG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig7 by Molmil](/molmil-images/mine/8ig7) | |
8IG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig9 by Molmil](/molmil-images/mine/8ig9) | |
8IG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig8 by Molmil](/molmil-images/mine/8ig8) | |
8IGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8igb by Molmil](/molmil-images/mine/8igb) | |
6OOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oor by Molmil](/molmil-images/mine/6oor) | Structure of 1B1 bound to mouse CD1d | Descriptor: | Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Ying, G, Zajonc, D.M. | Deposit date: | 2019-04-23 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1. J.Biol.Chem., 294, 2019
|
|
7RN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rn0 by Molmil](/molmil-images/mine/7rn0) | |
7RN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rn1 by Molmil](/molmil-images/mine/7rn1) | |
3HI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hi5 by Molmil](/molmil-images/mine/3hi5) | Crystal structure of Fab fragment of AL-57 | Descriptor: | Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain | Authors: | Zhang, H, Wang, J. | Deposit date: | 2009-05-18 | Release date: | 2009-09-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7TTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ttd by Molmil](/molmil-images/mine/7ttd) | Tubulin-RB3_SLD in complex with compound 12e | Descriptor: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
|
|
7TTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ttf by Molmil](/molmil-images/mine/7ttf) | Tubulin-RB3_SLD in complex with compound 12k | Descriptor: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
|
|
7TTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tte by Molmil](/molmil-images/mine/7tte) | Tubulin-RB3_SLD in complex with compound 12j | Descriptor: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
|
|
4Y5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y5u by Molmil](/molmil-images/mine/4y5u) | Transcription factor | Descriptor: | NICKEL (II) ION, Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-02-12 | Release date: | 2016-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5GMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gmq by Molmil](/molmil-images/mine/5gmq) | Structure of MERS-CoV RBD in complex with a fully human antibody MCA1 | Descriptor: | 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ... | Authors: | Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q. | Deposit date: | 2016-07-15 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset. J. Infect. Dis., 215, 2017
|
|
5Y93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y93 by Molmil](/molmil-images/mine/5y93) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8w by Molmil](/molmil-images/mine/5y8w) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y94 by Molmil](/molmil-images/mine/5y94) | Crystal Structure Analysis of the BRD4 | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
6BGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bgm by Molmil](/molmil-images/mine/6bgm) | Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-10-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
|
|
7V3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v3z by Molmil](/molmil-images/mine/7v3z) | Structure of cannabinoid receptor type 1(CB1) | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | Deposit date: | 2021-08-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1. J.Am.Chem.Soc., 143, 2021
|
|
6BPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bpx by Molmil](/molmil-images/mine/6bpx) | Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
|
|
8KCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kco by Molmil](/molmil-images/mine/8kco) | Cryo-EM structure of human gamma-secretase in complex with RO4929097 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2023-08-08 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 To Be Published
|
|
6BPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bpt by Molmil](/molmil-images/mine/6bpt) | Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
|
|
6QN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qn3 by Molmil](/molmil-images/mine/6qn3) | Structure of the Glutamine II Riboswitch | Descriptor: | BROMIDE ION, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2019-02-08 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and ligand binding of the glutamine-II riboswitch. Nucleic Acids Res., 47, 2019
|
|
8IG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig4 by Molmil](/molmil-images/mine/8ig4) | Crystal structure of SARS-Cov-2 main protease in complex with GC376 | Descriptor: | Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
|
|
5Y8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|