9COZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9coz by Molmil](/molmil-images/mine/9coz) | |
9EV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ev4 by Molmil](/molmil-images/mine/9ev4) | Pyruvate:quinone oxidoreductase (PQO) from Corynebacterium glutamicum CS176 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thiamine pyrophosphate-requiring enzymes [acetolactate synthase, pyruvate dehydrogenase (Cytochrome), ... | Authors: | Da Silva Lameira, C, Muenssinger, S, Yang, L, Eikmanns, B.J, Bellinzoni, M. | Deposit date: | 2024-03-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features. Febs J., 2024
|
|
9AVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9avw by Molmil](/molmil-images/mine/9avw) | |
9F4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f4s by Molmil](/molmil-images/mine/9f4s) | UP1 in complex with Z56880342 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9FE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fe7 by Molmil](/molmil-images/mine/9fe7) | Crystal Structure of oxidized NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9F50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f50 by Molmil](/molmil-images/mine/9f50) | UP1 in complex with Z906021418 | Descriptor: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9B0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9b0b by Molmil](/molmil-images/mine/9b0b) | |
8YTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ytx by Molmil](/molmil-images/mine/8ytx) | Tubulin-RB3-TTL in complex with compound SI9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-26 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Tubulin-RB3-TTL in complex with compound SI9 To Be Published
|
|
9F14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f14 by Molmil](/molmil-images/mine/9f14) | The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine | Descriptor: | HTH-type transcriptional regulator CysB, N-ACETYL-SERINE | Authors: | Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J. | Deposit date: | 2024-04-18 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine. Eur.Biophys.J., 2024
|
|
9F51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f51 by Molmil](/molmil-images/mine/9f51) | UP1 in complex with Z608065044 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9C5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c5s by Molmil](/molmil-images/mine/9c5s) | Disulfide-linked, antiparallel p53-derived peptide dimer (CV1) | Descriptor: | Cellular tumor antigen p53, SULFATE ION | Authors: | Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K. | Deposit date: | 2024-06-06 | Release date: | 2024-06-26 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Characterization of Disulfide-Linked p53-Derived Peptide Dimers. Res Sq, 2024
|
|
9F5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f5f by Molmil](/molmil-images/mine/9f5f) | UP1 in complex with Z992569480 | Descriptor: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9F5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f5g by Molmil](/molmil-images/mine/9f5g) | UP1 in complex with EN300-115958 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9EVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9evm by Molmil](/molmil-images/mine/9evm) | High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 MGy] | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-03-30 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
|
|
9IQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9iq9 by Molmil](/molmil-images/mine/9iq9) | |
8ZKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zkd by Molmil](/molmil-images/mine/8zkd) | The Crystal Structure of the RON from Biortus. | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Macrophage-stimulating protein receptor beta chain, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W. | Deposit date: | 2024-05-16 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Crystal Structure of the RON from Biortus. To Be Published
|
|
9F4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f4h by Molmil](/molmil-images/mine/9f4h) | UP1 in complex with Z106579662 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9F1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f1t by Molmil](/molmil-images/mine/9f1t) | |
8YX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yx9 by Molmil](/molmil-images/mine/8yx9) | CD40 in complex with Dacetuzumab Fab | Descriptor: | Dacetuzumab, Heavy chain, light chain, ... | Authors: | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | Deposit date: | 2024-04-02 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab. Biochem.Biophys.Res.Commun., 714, 2024
|
|
9F4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f4u by Molmil](/molmil-images/mine/9f4u) | UP1 in complex with Z111529496 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|
9F3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f3z by Molmil](/molmil-images/mine/9f3z) | |
9FBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fbx by Molmil](/molmil-images/mine/9fbx) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | Authors: | Chung, C. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
|
|
9F3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f3y by Molmil](/molmil-images/mine/9f3y) | |
9EZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ez2 by Molmil](/molmil-images/mine/9ez2) | Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | Descriptor: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
|
|
9F54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f54 by Molmil](/molmil-images/mine/9f54) | UP1 in complex with EN300-197154 | Descriptor: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
|
|