8R79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r79 by Molmil](/molmil-images/mine/8r79) | The D2 domain of human DTX3L | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | Deposit date: | 2023-11-24 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor. Biorxiv, 2023
|
|
5C7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7c by Molmil](/molmil-images/mine/5c7c) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
6GZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gzk by Molmil](/molmil-images/mine/6gzk) | Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA | Descriptor: | 5-carboxy methylrhodamine, TMR3 (48-MER) | Authors: | Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J. | Deposit date: | 2018-07-04 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine. Nucleic Acids Res., 48, 2020
|
|
2ZNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zns by Molmil](/molmil-images/mine/2zns) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1 | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
|
|
5C83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
2ZNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2znu by Molmil](/molmil-images/mine/2znu) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A | Descriptor: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
|
|
2ZNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2znt by Molmil](/molmil-images/mine/2znt) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, dysiherbaine | Descriptor: | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
|
|
5DTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dtb by Molmil](/molmil-images/mine/5dtb) | |
6IOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ios by Molmil](/molmil-images/mine/6ios) | The ligand binding domain of Mlp24 with proline | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2018-10-31 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
|
|
5EHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ehs by Molmil](/molmil-images/mine/5ehs) | |
4U2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u2r by Molmil](/molmil-images/mine/4u2r) | Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the apo state | Descriptor: | Glutamate receptor 2, SULFATE ION | Authors: | Duerr, K.L, Chen, L, Gouaux, E. | Deposit date: | 2014-07-17 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4114 Å) | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States. Cell, 158, 2014
|
|
6IOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ioq by Molmil](/molmil-images/mine/6ioq) | The ligand binding domain of Mlp24 with glycine | Descriptor: | CALCIUM ION, GLYCINE, Methyl-accepting chemotaxis protein | Authors: | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2018-10-31 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
|
|
6IOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iou by Molmil](/molmil-images/mine/6iou) | The ligand binding domain of Mlp24 with serine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Methyl-accepting chemotaxis protein, ... | Authors: | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2018-10-31 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
|
|
7QDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qdt by Molmil](/molmil-images/mine/7qdt) | Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations. | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha | Authors: | Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J. | Deposit date: | 2021-11-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha. Mol.Cell.Biol., 42, 2022
|
|
5EHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ehm by Molmil](/molmil-images/mine/5ehm) | |
5GTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gtn by Molmil](/molmil-images/mine/5gtn) | Human PPARgamma ligand binding dmain complexed with R35 | Descriptor: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y, Suh, S.W. | Deposit date: | 2016-08-22 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site. Biochim. Biophys. Acta, 1865, 2017
|
|
6IOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iop by Molmil](/molmil-images/mine/6iop) | The ligand binding domain of Mlp24 | Descriptor: | ACETATE ION, ALANINE, CALCIUM ION, ... | Authors: | Sumita, K, Takahashi, Y, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2018-10-31 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
|
|
8QVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvh by Molmil](/molmil-images/mine/8qvh) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvf by Molmil](/molmil-images/mine/8qvf) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qwg by Molmil](/molmil-images/mine/8qwg) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvl by Molmil](/molmil-images/mine/8qvl) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvg by Molmil](/molmil-images/mine/8qvg) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvk by Molmil](/molmil-images/mine/8qvk) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvm by Molmil](/molmil-images/mine/8qvm) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|
8QWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qwi by Molmil](/molmil-images/mine/8qwi) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
|
|