6VSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vsh by Molmil](/molmil-images/mine/6vsh) | Crystal structure of apo Dicamba Monooxygenase | Descriptor: | Dicamba O-demethylase, oxygenase component, FE2/S2 (INORGANIC) CLUSTER | Authors: | Rydel, T.J. | Deposit date: | 2020-02-11 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation. J. Mol. Biol., 392, 2009
|
|
2D9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2d9s by Molmil](/molmil-images/mine/2d9s) | Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA | Descriptor: | CBL E3 ubiquitin protein ligase | Authors: | Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Kurosaki, C, Izumi, K, Yoshida, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-12-13 | Release date: | 2007-01-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA To be Published
|
|
5NF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nf2 by Molmil](/molmil-images/mine/5nf2) | The fimbrial shaft protein Mfa1 from Porphyromonas gingivalis | Descriptor: | ACETATE ION, CALCIUM ION, Minor fimbrium subunit Mfa1 | Authors: | Hall, M, Hasegawa, Y, Persson, K. | Deposit date: | 2017-03-13 | Release date: | 2018-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and functional characterization of shaft, anchor, and tip proteins of the Mfa1 fimbria from the periodontal pathogen Porphyromonas gingivalis. Sci Rep, 8, 2018
|
|
5K97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k97 by Molmil](/molmil-images/mine/5k97) | Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-05-31 | Release date: | 2017-06-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
|
|
7QNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qnz by Molmil](/molmil-images/mine/7qnz) | human Lig1-DNA-PCNA complex reconstituted in absence of ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ... | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | Deposit date: | 2021-12-23 | Release date: | 2023-01-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.58 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
|
|
7QO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo1 by Molmil](/molmil-images/mine/7qo1) | complex of DNA ligase I and FEN1 on PCNA and DNA | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Flap endonuclease 1, ... | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | Deposit date: | 2021-12-23 | Release date: | 2023-01-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
|
|
8B8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b8t by Molmil](/molmil-images/mine/8b8t) | Open conformation of the complex of DNA ligase I on PCNA and DNA in the presence of ATP | Descriptor: | DNA ligase 1, Proliferating cell nuclear antigen | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | Deposit date: | 2022-10-05 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
|
|
7PJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pjf by Molmil](/molmil-images/mine/7pjf) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
|
|
7PJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pje by Molmil](/molmil-images/mine/7pje) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
|
|
5KSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kse by Molmil](/molmil-images/mine/5kse) | Flap endonuclease 1 (FEN1) R100A with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*AP*AP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-07-08 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
|
|
1IUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iuz by Molmil](/molmil-images/mine/1iuz) | PLASTOCYANIN | Descriptor: | COPPER (II) ION, PLASTOCYANIN, SULFATE ION | Authors: | Shibata, N. | Deposit date: | 1996-10-06 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel insight into the copper-ligand geometry in the crystal structure of Ulva pertusa plastocyanin at 1.6-A resolution. Structural basis for regulation of the copper site by residue 88. J.Biol.Chem., 274, 1999
|
|
6K84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k84 by Molmil](/molmil-images/mine/6k84) | Structure of anti-prion RNA aptamer | Descriptor: | RNA (25-MER) | Authors: | Mashima, T, Lee, J.H, Hayashi, T, Nagata, T, Kinoshita, M, Katahira, M. | Deposit date: | 2019-06-11 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Development and structural determination of an anti-PrPCaptamer that blocks pathological conformational conversion of prion protein. Sci Rep, 10, 2020
|
|
1IY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iy6 by Molmil](/molmil-images/mine/1iy6) | Solution structure of OMSVP3 variant, P14C/N39C | Descriptor: | OMSVP3 | Authors: | Hemmi, H, Kumazaki, T, Yamazaki, T, Kojima, S, Yoshida, T, Kyogoku, Y, Katsu, M, Yokosawa, H, Miura, K, Kobayashi, Y. | Deposit date: | 2002-07-23 | Release date: | 2003-03-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Inhibitory Specificity Change of Ovomucoid Third Domain of the Silver Pheasant upon Introduction of an Engineered Cys14-Cys39 Bond BIOCHEMISTRY, 42, 2003
|
|
1IY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iy5 by Molmil](/molmil-images/mine/1iy5) | Solution structure of wild type OMSVP3 | Descriptor: | OMSVP3 | Authors: | Hemmi, H, Kumazaki, T, Yamazaki, T, Kojima, S, Yoshida, T, Kyogoku, Y, Katsu, M, Yokosawa, H, Miura, K, Kobayashi, Y. | Deposit date: | 2002-07-23 | Release date: | 2003-03-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Inhibitory Specificity Change of Ovomucoid Third Domain of the Silver Pheasant upon Introduction of an Engineered Cys14-Cys39 Bond BIOCHEMISTRY, 42, 2003
|
|
8JNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jnb by Molmil](/molmil-images/mine/8jnb) | CRAF ras-binding domain chimera, ligand complex | Descriptor: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | Authors: | Kawamura, T, Kumasaka, T. | Deposit date: | 2023-06-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
|
|
8JNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jna by Molmil](/molmil-images/mine/8jna) | CRAF ras-binding domain chimera, apo form | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase, CRaf | Authors: | Kawamura, T, Kumasaka, T. | Deposit date: | 2023-06-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
|
|
5H09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h09 by Molmil](/molmil-images/mine/5h09) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-ethyl2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoate | Descriptor: | Tyrosine-protein kinase HCK, ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h0b by Molmil](/molmil-images/mine/5h0b) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoic acid | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h0h by Molmil](/molmil-images/mine/5h0h) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h0e by Molmil](/molmil-images/mine/5h0e) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h0g by Molmil](/molmil-images/mine/5h0g) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
2DO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2do6 by Molmil](/molmil-images/mine/2do6) | Solution structure of RSGI RUH-065, a UBA domain from human cDNA | Descriptor: | E3 ubiquitin-protein ligase CBL-B | Authors: | Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Sato, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-27 | Release date: | 2007-05-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RSGI RUH-065, a UBA domain from human cDNA To be Published
|
|
3CA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ca7 by Molmil](/molmil-images/mine/3ca7) | |
3CGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cgu by Molmil](/molmil-images/mine/3cgu) | |
7CID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cid by Molmil](/molmil-images/mine/7cid) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
|
|