6Q2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q2u by Molmil](/molmil-images/mine/6q2u) | Structure of Cytochrome C4 from Pseudomonas aeruginosa | Descriptor: | Cytochrome c4, HEME C | Authors: | Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. | Deposit date: | 2019-08-08 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa. J.Inorg.Biochem., 203, 2019
|
|
4Q5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q5p by Molmil](/molmil-images/mine/4q5p) | Lysine-Ligated Yeast Iso-1 Cytochrome C | Descriptor: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.V, Madden, D.R. | Deposit date: | 2014-04-17 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A Compact Structure of Cytochrome c Trapped in a Lysine-Ligated State: Loop Refolding and Functional Implications of a Conformational Switch. J.Am.Chem.Soc., 137, 2015
|
|
7CA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ca8 by Molmil](/molmil-images/mine/7ca8) | The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode. Sci Bull (Beijing), 66, 2021
|
|
7C2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c2q by Molmil](/molmil-images/mine/7c2q) | The crystal structure of COVID-19 main protease in the apo state | Descriptor: | 3C-like proteinase | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J. | Deposit date: | 2020-05-08 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure of SARS-CoV-2 main protease in the apo state. Sci China Life Sci, 64, 2021
|
|
5LUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lux by Molmil](/molmil-images/mine/5lux) | Homeobox transcription factor CDX1 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-12 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
5LTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lty by Molmil](/molmil-images/mine/5lty) | Homeobox transcription factor CDX2 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-07 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
8ZF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zf1 by Molmil](/molmil-images/mine/8zf1) | Crystal structure of a Chemo Triplet Photoenzyme (CTPe) | Descriptor: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family | Authors: | Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R. | Deposit date: | 2024-05-07 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells. J.Am.Chem.Soc., 146, 2024
|
|
5HOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hod by Molmil](/molmil-images/mine/5hod) | Structure of LHX4 transcription factor complexed with DNA | Descriptor: | DNA (5'-D(P*AP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*CP*GP*TP*AP*AP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*TP*TP*AP*CP*GP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*T)-3'), LIM/homeobox protein Lhx4 | Authors: | Morgunova, E, Yin, Y, Popov, A, Taipale, J. | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.682 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
7CRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7crw by Molmil](/molmil-images/mine/7crw) | Cryo-EM structure of rNLRP1-rDPP9 complex | Descriptor: | Dipeptidyl peptidase 9, NLR family protein 1 | Authors: | Huang, M.H, Zhang, X.X, Wang, J, Chai, J.J. | Deposit date: | 2020-08-14 | Release date: | 2021-03-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural and biochemical mechanisms of NLRP1 inhibition by DPP9. Nature, 592, 2021
|
|
7CRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7crv by Molmil](/molmil-images/mine/7crv) | |
6W6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w6l by Molmil](/molmil-images/mine/6w6l) | |
8YLC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ylc by Molmil](/molmil-images/mine/8ylc) | The crystal structure of PDE4D with Amentoflavone | Descriptor: | 3',5'-cyclic-AMP phosphodiesterase 4D, 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.30003715 Å) | Cite: | Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects Chin.Chem.Lett., 2024
|
|
5EGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ego by Molmil](/molmil-images/mine/5ego) | HOXB13-MEIS1 heterodimer bound to methylated DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
5EF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ef6 by Molmil](/molmil-images/mine/5ef6) | Structure of HOXB13 complex with methylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-23 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
8RJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rjc by Molmil](/molmil-images/mine/8rjc) | |
8RJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rjd by Molmil](/molmil-images/mine/8rjd) | |
8RJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rjb by Molmil](/molmil-images/mine/8rjb) | |
4QAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qao by Molmil](/molmil-images/mine/4qao) | Lysine-ligated cytochrome c with F82H | Descriptor: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.K, Madden, D.R. | Deposit date: | 2014-05-05 | Release date: | 2015-08-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Understanding PDZ Affinity and Selectivity: All Residues Considered Thesis, 2014
|
|
7VVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vvp by Molmil](/molmil-images/mine/7vvp) | Crystal structure of SARS-Cov-2 main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2021-11-07 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
|
|
7WQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wqh by Molmil](/molmil-images/mine/7wqh) | Crystal structure of HCoV-NL63 main protease with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J. | Deposit date: | 2022-01-25 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
|
|
7VTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vtc by Molmil](/molmil-images/mine/7vtc) | Crystal structure of MERS main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2021-10-28 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53865623 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vlq by Molmil](/molmil-images/mine/7vlq) | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.939106 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vlo by Molmil](/molmil-images/mine/7vlo) | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0227 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vlp by Molmil](/molmil-images/mine/7vlp) | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.50251937 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7XUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xup by Molmil](/molmil-images/mine/7xup) | Crystal structure of TPe3.0 | Descriptor: | Transcriptional regulator, PadR-like family | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | Deposit date: | 2022-05-19 | Release date: | 2022-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes. Nature, 611, 2022
|
|