5N8S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n8s by Molmil](/molmil-images/mine/5n8s) | Crystal Structure of Drosophila DHX36 helicase in complex with polyT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Hai-Lei Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
|
|
7C07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c07 by Molmil](/molmil-images/mine/7c07) | Crystal structure of yeast U2AF1 complex bound to 5'-AAGGU RNA. | Descriptor: | RNA (5'-R(*U*AP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | Deposit date: | 2020-04-30 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1. Nat Commun, 11, 2020
|
|
6THX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thx by Molmil](/molmil-images/mine/6thx) | IRAK4 in complex with inhibitor | Descriptor: | 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-21 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
|
|
7BQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bq2 by Molmil](/molmil-images/mine/7bq2) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
|
|
6TIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tia by Molmil](/molmil-images/mine/6tia) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-22 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
|
|
6TCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tco by Molmil](/molmil-images/mine/6tco) | Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form I | Descriptor: | 1,2-ETHANEDIOL, Omalizumab Fab Leu158Pro light chain mutant, SULFATE ION | Authors: | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | Deposit date: | 2019-11-06 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization. Acta Crystallogr.,Sect.F, 76, 2020
|
|
6TII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tii by Molmil](/molmil-images/mine/6tii) | |
5NBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nbn by Molmil](/molmil-images/mine/5nbn) | Crystal structure of the Arp4-N-actin-Arp8-Ino80HSA module of INO80 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-like protein ARP8, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
|
|
6T2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t2q by Molmil](/molmil-images/mine/6t2q) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
|
|
5NCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nci by Molmil](/molmil-images/mine/5nci) | GriE in complex with cobalt, alpha-ketoglutarate and l-leucine | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, LEUCINE, ... | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | Deposit date: | 2017-03-05 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity. Chem Sci, 8, 2017
|
|
6THY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thy by Molmil](/molmil-images/mine/6thy) | Botulinum neurotoxin A3 Hc domain in complex with GD1a | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BoNT/A3, ... | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M. | Deposit date: | 2019-11-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of botulinum neurotoxin subtype A3 cell binding domain in complex with GD1a co-receptor ganglioside. Febs Open Bio, 10, 2020
|
|
6T68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t68 by Molmil](/molmil-images/mine/6t68) | Crystal structure of Trypanosoma brucei Morn1 | Descriptor: | CHLORIDE ION, MORN repeat-containing protein 1 | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
|
|
5ND5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nd5 by Molmil](/molmil-images/mine/5nd5) | Crystal structure of transketolase from Chlamydomonas reinhardtii in complex with TPP and Mg2+ | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase | Authors: | Fermani, S, Zaffagnini, M, Francia, F, Pasquini, M. | Deposit date: | 2017-03-07 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for the magnesium-dependent activation of transketolase from Chlamydomonas reinhardtii. Biochim. Biophys. Acta, 1861, 2017
|
|
6T71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t71 by Molmil](/molmil-images/mine/6t71) | |
6TKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tkj by Molmil](/molmil-images/mine/6tkj) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
|
|
6T97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t97 by Molmil](/molmil-images/mine/6t97) | Trypanothione Reductase from Leismania infantum in complex with TRL190 | Descriptor: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Carriles, A, Hermoso, J.A. | Deposit date: | 2019-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published
|
|
5NEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nev by Molmil](/molmil-images/mine/5nev) | CDK2/Cyclin A in complex with compound 73 | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | Deposit date: | 2017-03-12 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
|
|
5NHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nhe by Molmil](/molmil-images/mine/5nhe) | |
5NJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5njc by Molmil](/molmil-images/mine/5njc) | E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Metalloprotease PmbA, ... | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | Deposit date: | 2017-03-28 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E. Structure, 25, 2017
|
|
6TAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tac by Molmil](/molmil-images/mine/6tac) | Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+ | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | Deposit date: | 2019-10-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity To Be Published
|
|
5NK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nk5 by Molmil](/molmil-images/mine/5nk5) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m | Descriptor: | 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.329 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
|
|
6TAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6taw by Molmil](/molmil-images/mine/6taw) | |
5NKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nkd by Molmil](/molmil-images/mine/5nkd) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
|
|
6TSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tsb by Molmil](/molmil-images/mine/6tsb) | |
7B9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b9o by Molmil](/molmil-images/mine/7b9o) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor | Descriptor: | 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Ni, X, Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-14 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
|
|