3ZVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zva by Molmil](/molmil-images/mine/3zva) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
3ZV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zv9 by Molmil](/molmil-images/mine/3zv9) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
4AOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aof by Molmil](/molmil-images/mine/4aof) | Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma | Descriptor: | N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G. | Deposit date: | 2012-03-26 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation. Nat.Chem.Biol., 8, 2012
|
|
3ZV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zv8 by Molmil](/molmil-images/mine/3zv8) | |
3ZVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zvf by Molmil](/molmil-images/mine/3zvf) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85 | Descriptor: | 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
3ZVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zvb by Molmil](/molmil-images/mine/3zvb) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
3ZVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zve by Molmil](/molmil-images/mine/3zve) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 | Descriptor: | 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
2MLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mll by Molmil](/molmil-images/mine/2mll) | MISTLETOE LECTIN I FROM VISCUM ALBUM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II) | Authors: | Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C. | Deposit date: | 1999-03-16 | Release date: | 2000-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of mistletoe lectin I from Viscum album. Biochem.Biophys.Res.Commun., 257, 1999
|
|
2G58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g58 by Molmil](/molmil-images/mine/2g58) | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution | Descriptor: | (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. | Deposit date: | 2006-02-22 | Release date: | 2006-03-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution To be Published
|
|
8DG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dg8 by Molmil](/molmil-images/mine/8dg8) | |
8DG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dg9 by Molmil](/molmil-images/mine/8dg9) | |
1HE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1he7 by Molmil](/molmil-images/mine/1he7) | Human Nerve growth factor receptor TrkA | Descriptor: | GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR | Authors: | Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D. | Deposit date: | 2000-11-20 | Release date: | 2001-04-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Structure of the Nerve Growth Factor Binding Site on Trka. Biochem.Biophys.Res.Commun., 282, 2001
|
|
5VIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5viq by Molmil](/molmil-images/mine/5viq) | |
5VIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vik by Molmil](/molmil-images/mine/5vik) | |
5VIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5viv by Molmil](/molmil-images/mine/5viv) | Crystal structure of monomeric near-infrared fluorescent protein miRFP670 | Descriptor: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid, 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ... | Authors: | Pletnev, S. | Deposit date: | 2017-04-17 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies. Chem Sci, 8, 2017
|
|
1TNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tnv by Molmil](/molmil-images/mine/1tnv) | |
2JQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jqs by Molmil](/molmil-images/mine/2jqs) | |
2JQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jqu by Molmil](/molmil-images/mine/2jqu) | |
1C8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c8g by Molmil](/molmil-images/mine/1c8g) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
|
|
1C8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c8d by Molmil](/molmil-images/mine/1c8d) | |
1C8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c8h by Molmil](/molmil-images/mine/1c8h) | |
4QL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ql1 by Molmil](/molmil-images/mine/4ql1) | Crystal structure of human WDR5 in complex with compound OICR-9429 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | Authors: | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-10 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia. Nat.Chem.Biol., 11, 2015
|
|
1DNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dnv by Molmil](/molmil-images/mine/1dnv) | PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA | Descriptor: | GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN | Authors: | Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G. | Deposit date: | 1998-07-22 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution. Structure, 6, 1998
|
|
5COJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5coj by Molmil](/molmil-images/mine/5coj) | Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol. | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | Deposit date: | 2015-07-20 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep, 6, 2016
|
|
5CM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cm5 by Molmil](/molmil-images/mine/5cm5) | Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus | Descriptor: | Hydroxyethylthiazole kinase | Authors: | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | Deposit date: | 2015-07-16 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep, 6, 2016
|
|