7NLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nle by Molmil](/molmil-images/mine/7nle) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7NLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nla by Molmil](/molmil-images/mine/7nla) | |
7NM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nm9 by Molmil](/molmil-images/mine/7nm9) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 | Descriptor: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-23 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7NJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nj9 by Molmil](/molmil-images/mine/7nj9) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 | Descriptor: | 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7NJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7njb by Molmil](/molmil-images/mine/7njb) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 | Descriptor: | 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7NK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nk3 by Molmil](/molmil-images/mine/7nk3) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 | Descriptor: | 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-17 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
5J2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j2m by Molmil](/molmil-images/mine/5j2m) | HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor | Descriptor: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6YRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yrn by Molmil](/molmil-images/mine/6yrn) | |
5IS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5is6 by Molmil](/molmil-images/mine/5is6) | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution To Be Published
|
|
5ISA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5isa by Molmil](/molmil-images/mine/5isa) | Crystal structure of mouse CARM1 in complex with inhibitor SA0401 | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0401 To Be Published
|
|
5JS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5js6 by Molmil](/molmil-images/mine/5js6) | Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-05-07 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. J.Med.Chem., 59, 2016
|
|
7NWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwu by Molmil](/molmil-images/mine/7nwu) | Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII | Descriptor: | PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ... | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | Deposit date: | 2021-03-17 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation. Nucleic Acids Res., 50, 2022
|
|
6ZHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zhw by Molmil](/molmil-images/mine/6zhw) | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baath, P, Dods, R, Branden, G, Neutze, R. | Deposit date: | 2020-06-23 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
|
|
6ZI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zi6 by Molmil](/molmil-images/mine/6zi6) | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 20 ps structure | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baath, P, Dods, R, Braenden, G, Neutze, R. | Deposit date: | 2020-06-24 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
|
|
6CXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cxf by Molmil](/molmil-images/mine/6cxf) | |
6ZI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zi9 by Molmil](/molmil-images/mine/6zi9) | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baath, P, Dods, R, Braenden, G, Neutze, R. | Deposit date: | 2020-06-25 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
|
|
2Q69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q69 by Molmil](/molmil-images/mine/2q69) | Crystal Structure of Nak channel D66N mutant | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | Authors: | Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2007-06-04 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
5K59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k59 by Molmil](/molmil-images/mine/5k59) | Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody | Descriptor: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | Authors: | Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies. Mabs, 8, 2016
|
|
3RQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rq2 by Molmil](/molmil-images/mine/3rq2) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADH | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-27 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
5K8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k8w by Molmil](/molmil-images/mine/5k8w) | Crystal structure of mouse CARM1 in complex with inhibitor U2 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor U2 To Be Published
|
|
6CUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cug by Molmil](/molmil-images/mine/6cug) | Crystal structure of BC8B TCR-CD1b-PC complex | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Shahine, A.E, Rossjohn, J. | Deposit date: | 2018-03-26 | Release date: | 2019-01-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019
|
|
2Q6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6a by Molmil](/molmil-images/mine/2q6a) | Crystal Structure of Nak channel D66E mutant | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | Authors: | Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2007-06-04 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
6CX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cx7 by Molmil](/molmil-images/mine/6cx7) | Structure of alpha-GSA[12,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
|
|
2Q68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q68 by Molmil](/molmil-images/mine/2q68) | Crystal Structure of Nak channel D66A, S70E double mutants | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | Authors: | Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2007-06-04 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2Q67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q67 by Molmil](/molmil-images/mine/2q67) | Crystal Structure of Nak channel D66A mutant | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | Authors: | Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2007-06-04 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|