7WET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wet by Molmil](/molmil-images/mine/7wet) | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | Descriptor: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2021-12-24 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1. Signal Transduct Target Ther, 8, 2023
|
|
4L04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l04 by Molmil](/molmil-images/mine/4l04) | |
4KZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kzo by Molmil](/molmil-images/mine/4kzo) | |
4L03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l03 by Molmil](/molmil-images/mine/4l03) | |
4L06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l06 by Molmil](/molmil-images/mine/4l06) | |
5YIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yis by Molmil](/molmil-images/mine/5yis) | Crystal Structure of AnkB LIR/LC3B complex | Descriptor: | Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ... | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yiq by Molmil](/molmil-images/mine/5yiq) | Crystal structure of AnkG LIR/LC3B complex | Descriptor: | Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yir by Molmil](/molmil-images/mine/5yir) | Crystal Structure of AnkB LIR/GABARAP complex | Descriptor: | Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yip by Molmil](/molmil-images/mine/5yip) | Crystal Structure of AnkG LIR/GABARAPL1 complex | Descriptor: | Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1 | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
7XKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xke by Molmil](/molmil-images/mine/7xke) | Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
|
|
7XKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xkf by Molmil](/molmil-images/mine/7xkf) | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
|
|
7XKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xkd by Molmil](/molmil-images/mine/7xkd) | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
|
|
7WPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/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](/newweb/media/icons/dl.png) ![Visualize](/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
|
|
5GTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gtr by Molmil](/molmil-images/mine/5gtr) | |
5E74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e74 by Molmil](/molmil-images/mine/5e74) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | Authors: | Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A. | Deposit date: | 2015-10-11 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
|
|
5GS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gs4 by Molmil](/molmil-images/mine/5gs4) | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | Authors: | Xie, M, Wang, T, Li, Z.-G. | Deposit date: | 2016-08-13 | Release date: | 2017-08-30 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
|
|
5XS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs5 by Molmil](/molmil-images/mine/5xs5) | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
5XS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs7 by Molmil](/molmil-images/mine/5xs7) | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
8I3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/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
|
|
2NO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2no3 by Molmil](/molmil-images/mine/2no3) | Novel 4-anilinopyrimidines as potent JNK1 Inhibitors | Descriptor: | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-10-24 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg.Med.Chem.Lett., 17, 2007
|
|
5XS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs4 by Molmil](/molmil-images/mine/5xs4) | Structure of Coxsackievirus A6 (CVA6) virus A-particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
2OFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ofu by Molmil](/molmil-images/mine/2ofu) | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
|
|
2OFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ofv by Molmil](/molmil-images/mine/2ofv) | crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
|
|
2OBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2obd by Molmil](/molmil-images/mine/2obd) | Crystal Structure of Cholesteryl Ester Transfer Protein | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Qiu, X. | Deposit date: | 2006-12-18 | Release date: | 2007-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of cholesteryl ester transfer protein reveals a long tunnel and four bound lipid molecules. Nat.Struct.Mol.Biol., 14, 2007
|
|