6JIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jiw by Molmil](/molmil-images/mine/6jiw) | Crystal structure of S. aureus CntK with C72S mutation | Descriptor: | 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION | Authors: | Luo, S, Ju, Y, Zhou, H. | Deposit date: | 2019-02-23 | Release date: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus. Int.J.Biol.Macromol., 135, 2019
|
|
5OFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ofp by Molmil](/molmil-images/mine/5ofp) | |
7WPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpi by Molmil](/molmil-images/mine/7wpi) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide, ACETATE ION, ... | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
6IPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ipx by Molmil](/molmil-images/mine/6ipx) | |
6KNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kni by Molmil](/molmil-images/mine/6kni) | |
6KNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6knh by Molmil](/molmil-images/mine/6knh) | Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis | Descriptor: | CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein | Authors: | Tang, J, Ju, Y, Zhou, H. | Deposit date: | 2019-08-05 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis. J.Mol.Biol., 431, 2019
|
|
7WPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpk by Molmil](/molmil-images/mine/7wpk) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with L-Met | Descriptor: | METHIONINE, Methionine--tRNA ligase | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
7WPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpm by Molmil](/molmil-images/mine/7wpm) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ... | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
7WPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpx by Molmil](/molmil-images/mine/7wpx) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | Descriptor: | 1,2-ETHANEDIOL, 6-chloranylimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
7WPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpn by Molmil](/molmil-images/mine/7wpn) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP | Descriptor: | (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
7WPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpl by Molmil](/molmil-images/mine/7wpl) | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
7WPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpj by Molmil](/molmil-images/mine/7wpj) | Methionyl-tRNA synthetase from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, Methionine--tRNA ligase | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | Deposit date: | 2022-01-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase. Nucleic Acids Res., 50, 2022
|
|
6K7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k7y by Molmil](/molmil-images/mine/6k7y) | Intact human mitochondrial calcium uniporter complex with MICU1/MICU2 subunits | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhuo, W, Zhou, H, Yang, M. | Deposit date: | 2019-06-10 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits. Protein Cell, 12, 2021
|
|
7X28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x28 by Molmil](/molmil-images/mine/7x28) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
|
|
6K7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k7x by Molmil](/molmil-images/mine/6k7x) | Human MCU-EMRE complex | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhuo, W, Zhou, H, Yang, M. | Deposit date: | 2019-06-10 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits. Protein Cell, 12, 2021
|
|
2L0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l0j by Molmil](/molmil-images/mine/2l0j) | Solid State NMR structure of the M2 proton channel from Influenza A Virus in hydrated lipid bilayer | Descriptor: | Matrix protein 2 | Authors: | Sharma, M, Yi, M, Dong, H, Qin, H, Peterson, E, Busath, D.D, Zhou, H.X, Cross, T.A. | Deposit date: | 2010-07-08 | Release date: | 2010-11-03 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Insight into the mechanism of the influenza a proton channel from a structure in a lipid bilayer. Science, 330, 2010
|
|
6KG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kg7 by Molmil](/molmil-images/mine/6kg7) | Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | Deposit date: | 2019-07-11 | Release date: | 2019-09-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2. Nature, 573, 2019
|
|
7X29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x29 by Molmil](/molmil-images/mine/7x29) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2022-11-09 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
|
|
1GMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
|
|
7VIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vic by Molmil](/molmil-images/mine/7vic) | The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase | Authors: | Zhong, B, Chen, B, Zhou, H, Sun, L. | Deposit date: | 2021-09-26 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease. Small Sci, 2, 2022
|
|
7WM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wm7 by Molmil](/molmil-images/mine/7wm7) | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
|
|
7WMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmf by Molmil](/molmil-images/mine/7wmf) | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
|
|
7WMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmi by Molmil](/molmil-images/mine/7wmi) | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
|
|
7X25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x25 by Molmil](/molmil-images/mine/7x25) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J, Zhang, S, Zhou, H, Wang, X. | Deposit date: | 2022-02-25 | Release date: | 2023-01-18 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
|
|
7X2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x2a by Molmil](/molmil-images/mine/7x2a) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab) | Descriptor: | MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2022-11-09 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
|
|