5LTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ltc by Molmil](/molmil-images/mine/5ltc) | |
6TP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tp2 by Molmil](/molmil-images/mine/6tp2) | |
5LTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ltn by Molmil](/molmil-images/mine/5ltn) | Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease complexed with DPBA | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of Lymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands. Iucrj, 5, 2018
|
|
6TPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tpd by Molmil](/molmil-images/mine/6tpd) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | Authors: | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
|
|
7CC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cc8 by Molmil](/molmil-images/mine/7cc8) | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - Apo form | Descriptor: | SULFATE ION, TRIETHYLENE GLYCOL, Thymidylate Synthase | Authors: | Kumar, S, Panchal, N.V, Shaikh, N, Vasudevan, D. | Deposit date: | 2020-06-16 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements. Int.J.Biol.Macromol., 167, 2021
|
|
5LTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ltx by Molmil](/molmil-images/mine/5ltx) | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET | Descriptor: | ACETATE ION, Chemotaxis protein, FORMIC ACID, ... | Authors: | Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-07 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
|
|
6TD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6td3 by Molmil](/molmil-images/mine/6td3) | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | Descriptor: | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H. | Deposit date: | 2019-11-07 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K. Nature, 585, 2020
|
|
5LU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lu9 by Molmil](/molmil-images/mine/5lu9) | Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | Authors: | Dall, E, Ye, K, Brandstetter, H. | Deposit date: | 2016-09-08 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
|
|
5M3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m3q by Molmil](/molmil-images/mine/5m3q) | |
5M3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m3y by Molmil](/molmil-images/mine/5m3y) | Crystal structure of human glycosylated angiotensinogen | Descriptor: | Angiotensinogen, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yan, Y, Read, R.J. | Deposit date: | 2016-10-17 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the specificity of renin-mediated angiotensinogen cleavage. J. Biol. Chem., 294, 2019
|
|
5LX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lx8 by Molmil](/molmil-images/mine/5lx8) | Crystal structure of BT1762 | Descriptor: | SODIUM ION, SULFATE ION, SusD homolog | Authors: | Basle, A. | Deposit date: | 2016-09-20 | Release date: | 2016-12-14 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
|
|
6TWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6two by Molmil](/molmil-images/mine/6two) | Binding domain of BoNT/A6 | Descriptor: | Bont/A1, CHLORIDE ION | Authors: | Davies, J.R, Britton, A, Acharya, K.R. | Deposit date: | 2020-01-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6. Febs Open Bio, 10, 2020
|
|
6TWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tww by Molmil](/molmil-images/mine/6tww) | Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | Descriptor: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | Deposit date: | 2020-01-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
|
|
5LYC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lyc by Molmil](/molmil-images/mine/5lyc) | |
6TX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tx4 by Molmil](/molmil-images/mine/6tx4) | |
7C63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c63 by Molmil](/molmil-images/mine/7c63) | Crystal structure of beta-glycosides-binding protein of ABC transporter in an open state (Form I) | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXY BUTANE-1,4-DIOL, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
|
|
5LUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lux by Molmil](/molmil-images/mine/5lux) | Homeobox transcription factor CDX1 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-12 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
|
|
6TX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tx9 by Molmil](/molmil-images/mine/6tx9) | |
7C6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c6j by Molmil](/molmil-images/mine/7c6j) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellobiose | Descriptor: | ACETATE ION, CHLORIDE ION, SULFUR DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
|
|
7C70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c70 by Molmil](/molmil-images/mine/7c70) | Crystal structure of beta-glycosides-binding protein (W67A) of ABC transporter in an open-liganded state bound to gentiobiose | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
|
|
5LVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lvi by Molmil](/molmil-images/mine/5lvi) | |
7C7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7p by Molmil](/molmil-images/mine/7c7p) | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
|
|
6U17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u17 by Molmil](/molmil-images/mine/6u17) | Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog | Descriptor: | ACETATE ION, DNA (28-MER), DNA (30-MER), ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2019-08-15 | Release date: | 2019-11-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase. J.Am.Chem.Soc., 141, 2019
|
|
7CU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cu2 by Molmil](/molmil-images/mine/7cu2) | CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE THAL IN COMPLEX WITH REDUCED FAD | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
|
|
6U1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u1g by Molmil](/molmil-images/mine/6u1g) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
|
|