6DNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dnt by Molmil](/molmil-images/mine/6dnt) | UDP-N-acetylglucosamine 4-epimerase from Methanobrevibacter ruminantium M1 in complex with UDP-N-acetylmuramic acid | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase, ... | Authors: | Carbone, V, Schofield, L.R, Sang, C, Sutherland-Smith, A.J, Ronimus, R.S. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural determination of archaeal UDP-N-acetylglucosamine 4-epimerase from Methanobrevibacter ruminantium M1 in complex with the bacterial cell wall intermediate UDP-N-acetylmuramic acid. Proteins, 86, 2018
|
|
6D9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d9c by Molmil](/molmil-images/mine/6d9c) | |
6DPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dpz by Molmil](/molmil-images/mine/6dpz) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
|
|
6TY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ty7 by Molmil](/molmil-images/mine/6ty7) | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Markova, K, Chaloupkova, R, Damborsky, J, Marek, M. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers Acs Catalysis, 11, 2021
|
|
6IAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iam by Molmil](/molmil-images/mine/6iam) | |
6AI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ai1 by Molmil](/molmil-images/mine/6ai1) | |
6XQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xqk by Molmil](/molmil-images/mine/6xqk) | Crystal structure of the D/D domain of PKA from S. cerevisiae | Descriptor: | CHLORIDE ION, GLYCEROL, cAMP-dependent protein kinase regulatory subunit | Authors: | Larrieux, N, Gonzalez Bardeci, N, Trajtenberg, F, Buschiazzo, A. | Deposit date: | 2020-07-09 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The crystal structure of yeast regulatory subunit reveals key evolutionary insights into Protein Kinase A oligomerization. J.Struct.Biol., 213, 2021
|
|
6XQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xqa by Molmil](/molmil-images/mine/6xqa) | Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | Authors: | Nguyen, A.T, Szeto, C, Gras, S. | Deposit date: | 2020-07-09 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
|
|
6UH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uh9 by Molmil](/molmil-images/mine/6uh9) | Crystal structure of DAD2 D166A mutant | Descriptor: | Decreased Apical Dominance 2, TETRAETHYLENE GLYCOL | Authors: | Sharma, P, Hamiaux, C, Snowden, K.C. | Deposit date: | 2019-09-27 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners. J.Biol.Chem., 295, 2020
|
|
6U4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u4k by Molmil](/molmil-images/mine/6u4k) | Human talin2 residues 1-403 | Descriptor: | Talin-2 | Authors: | Izard, T, Rangarajan, E.S, Colgan, L, Yasuda, R, Chinthalapudi, K. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (2.555 Å) | Cite: | A distinct talin2 structure directs isoform specificity in cell adhesion. J.Biol.Chem., 295, 2020
|
|
6UK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uk5 by Molmil](/molmil-images/mine/6uk5) | Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis | Descriptor: | ACETATE ION, CalS10, DI(HYDROXYETHYL)ETHER, ... | Authors: | Alvarado, S.K, Miller, M.D, Xu, W, Wang, Z, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-10-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis To Be Published
|
|
6D9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d9a by Molmil](/molmil-images/mine/6d9a) | |
6DPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dpt by Molmil](/molmil-images/mine/6dpt) | |
6U30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u30 by Molmil](/molmil-images/mine/6u30) | The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
|
|
6XFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xfr by Molmil](/molmil-images/mine/6xfr) | |
6XM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xm2 by Molmil](/molmil-images/mine/6xm2) | The structure of the 4A11.v7 antibody in complex with human TGFb2 | Descriptor: | 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2 | Authors: | Lupardus, P.J, Yin, J.P. | Deposit date: | 2020-06-29 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis. Sci Transl Med, 13, 2021
|
|
6U31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u31 by Molmil](/molmil-images/mine/6u31) | The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4 | Descriptor: | 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.578 Å) | Cite: | To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
|
|
7YRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yru by Molmil](/molmil-images/mine/7yru) | ALK2 antibody complex | Descriptor: | Activin receptor type-1, antibody heavy chain, antibody light chain | Authors: | Kawaguchi, Y, Nakamura, K, Suzuki, M, Tsuji, S, Katagiri, T. | Deposit date: | 2022-08-10 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A blocking monoclonal antibody reveals dimerization of intracellular domains of ALK2 associated with genetic disorders. Nat Commun, 14, 2023
|
|
6DE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6de6 by Molmil](/molmil-images/mine/6de6) | |
6UIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uiu by Molmil](/molmil-images/mine/6uiu) | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, Streptavidin | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-10-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
|
|
6U9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u9l by Molmil](/molmil-images/mine/6u9l) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM | Descriptor: | GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-09 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
|
|
7YQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yqe by Molmil](/molmil-images/mine/7yqe) | |
6YEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yen by Molmil](/molmil-images/mine/6yen) | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.418 Å) | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
|
|
6YHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yhn by Molmil](/molmil-images/mine/6yhn) | Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ... | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | Deposit date: | 2020-03-30 | Release date: | 2020-12-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. Embo J., 40, 2021
|
|
6Y1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1x by Molmil](/molmil-images/mine/6y1x) | X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ... | Authors: | Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y. | Deposit date: | 2020-02-14 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme. J.Am.Chem.Soc., 142, 2020
|
|