2LWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lwi by Molmil](/molmil-images/mine/2lwi) | Solution structure of H-RasT35S mutant protein in complex with Kobe2601 | Descriptor: | 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ... | Authors: | Araki, M, Tamura, A, Shima, F, Kataoka, T. | Deposit date: | 2012-08-01 | Release date: | 2013-05-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
1X1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x1s by Molmil](/molmil-images/mine/1x1s) | Crystal structure of M-Ras in complex with GppNHp | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | Authors: | Ye, M, Shima, F, Muraoka, S, Liao, J, Okamoto, H, Yamamoto, M, Tamura, A, Yagi, N, Ueki, T, Kataoka, T. | Deposit date: | 2005-04-13 | Release date: | 2005-07-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of M-Ras Reveals a GTP-bound "Off" State Conformation of Ras Family Small GTPases J.Biol.Chem., 280, 2005
|
|
1X1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x1r by Molmil](/molmil-images/mine/1x1r) | Crystal structure of M-Ras in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras | Authors: | Ye, M, Shima, F, Muraoka, S, Liao, J, Okamoto, H, Yamamoto, M, Tamura, A, Yagi, N, Ueki, T, Kataoka, T. | Deposit date: | 2005-04-12 | Release date: | 2005-07-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of M-Ras Reveals a GTP-bound "Off" State Conformation of Ras Family Small GTPases J.Biol.Chem., 280, 2005
|
|
7ORW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7orw by Molmil](/molmil-images/mine/7orw) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
|
|
7ORU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oru by Molmil](/molmil-images/mine/7oru) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
|
|
7ORV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7orv by Molmil](/molmil-images/mine/7orv) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
|
|
7ORR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7orr by Molmil](/molmil-images/mine/7orr) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
|
|
7NTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ntu by Molmil](/molmil-images/mine/7ntu) | X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD22_27mer, ... | Authors: | Troisi, R, Santamaria, A, Sica, F. | Deposit date: | 2021-03-10 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin. Int.J.Biol.Macromol., 181, 2021
|
|
8C0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0b by Molmil](/molmil-images/mine/8c0b) | CryoEM structure of Aspergillus nidulans UTP-glucose-1-phosphate uridylyltransferase | Descriptor: | UTP--glucose-1-phosphate uridylyltransferase | Authors: | Han, X, D Angelo, C, Otamendi, A, Cifuente, J.O, de Astigarraga, E, Ochoa-Lizarralde, B, Grininger, M, Routier, F.H, Guerin, M.E, Fuehring, J, Etxebeste, O, Connell, S.R. | Deposit date: | 2022-12-16 | Release date: | 2023-06-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | CryoEM analysis of the essential native UDP-glucose pyrophosphorylase from Aspergillus nidulans reveals key conformations for activity regulation and function. Mbio, 14, 2023
|
|
3PUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3puo by Molmil](/molmil-images/mine/3puo) | Crystal structure of dihydrodipicolinate synthase from Pseudomonas aeruginosa(PsDHDPS)complexed with L-lysine at 2.65A resolution | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, LYSINE | Authors: | Kaur, N, Kumar, M, Kumar, S, Gautam, A, Sinha, M, Kaur, P, Sharma, S, Sharma, R, Tewari, R, Singh, T.P. | Deposit date: | 2010-12-06 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa Int.J.Biol.Macromol., 48, 2011
|
|
3PUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pud by Molmil](/molmil-images/mine/3pud) | Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION | Authors: | Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2010-12-04 | Release date: | 2010-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution To be Published
|
|
3PUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pue by Molmil](/molmil-images/mine/3pue) | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, LYSINE, ... | Authors: | Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2010-12-04 | Release date: | 2010-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution To be Published
|
|
3PS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ps7 by Molmil](/molmil-images/mine/3ps7) | Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa | Descriptor: | Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL | Authors: | Kaur, N, Gautam, A, Kumar, S, Singh, A, Singh, N, Sharma, S, Sharma, R, Tewari, R, Singh, T.P. | Deposit date: | 2010-12-01 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa Int.J.Biol.Macromol., 48, 2011
|
|
3PUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pul by Molmil](/molmil-images/mine/3pul) | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution | Descriptor: | ACETATE ION, Dihydrodipicolinate synthase, GLYCEROL, ... | Authors: | Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2010-12-06 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution to be published
|
|
5X6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x6u by Molmil](/molmil-images/mine/5x6u) | Crystal structure of human heteropentameric complex | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | Authors: | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | Deposit date: | 2017-02-23 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
|
|
5X6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x6v by Molmil](/molmil-images/mine/5x6v) | Crystal structure of human heteroheptameric complex | Descriptor: | ACETATE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... | Authors: | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | Deposit date: | 2017-02-23 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
|
|
8Q5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q5i by Molmil](/molmil-images/mine/8q5i) | Structure of Candida albicans 80S ribosome in complex with cephaeline | Descriptor: | 18S ribosomal RNA, 25S rRNA, 40S ribosomal protein S0, ... | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Atamas, A, Guskov, A, Yusupov, M. | Deposit date: | 2023-08-09 | Release date: | 2023-09-13 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structural characterization of cephaeline binding to the eukaryotic ribosome using Cryo-Electron Microscopy Biopolym Cell, 2023
|
|
3NOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3noe by Molmil](/molmil-images/mine/3noe) | Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa | Descriptor: | Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL | Authors: | Kaur, N, Kumar, S, Singh, N, Gautam, A, Sharma, R, Sharma, S, Tewari, R, Singh, T.P. | Deposit date: | 2010-06-25 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa To be Published
|
|
2VT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vt2 by Molmil](/molmil-images/mine/2vt2) | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX | Authors: | Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D.T, von Wachenfeldt, C. | Deposit date: | 2008-05-08 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex. Mol. Microbiol., 69, 2008
|
|
2VT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vt3 by Molmil](/molmil-images/mine/2vt3) | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX | Authors: | Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2008-05-08 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex. Mol. Microbiol., 69, 2008
|
|
3PRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3prg by Molmil](/molmil-images/mine/3prg) | LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR | Descriptor: | PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | Authors: | Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A. | Deposit date: | 1998-08-24 | Release date: | 1999-08-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma. J.Biol.Chem., 273, 1998
|
|
6MJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
|
|
6MJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
|
|
6MJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-22 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
|
|
5EW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ew9 by Molmil](/molmil-images/mine/5ew9) | Crystal Structure of Aurora A Kinase Domain Bound to MK-5108 | Descriptor: | 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid, Aurora kinase A | Authors: | Shiau, A.K, Motamedi, A. | Deposit date: | 2015-11-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | A Cell Biologist's Field Guide to Aurora Kinase Inhibitors. Front Oncol, 5, 2015
|
|