5E54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e54 by Molmil](/molmil-images/mine/5e54) | Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser | Descriptor: | MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2015-10-07 | Release date: | 2016-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
|
|
4ZIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zim by Molmil](/molmil-images/mine/4zim) | |
4XV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv2 by Molmil](/molmil-images/mine/4xv2) | |
4XV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv3 by Molmil](/molmil-images/mine/4xv3) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | Descriptor: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
4XV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv9 by Molmil](/molmil-images/mine/4xv9) | B-Raf Kinase domain in complex with PLX5568 | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | Authors: | zhang, Y, zhang, c, wang, w. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
4XV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv1 by Molmil](/molmil-images/mine/4xv1) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 | Descriptor: | N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
7CKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ckp by Molmil](/molmil-images/mine/7ckp) | Mycobacterium tuberculosis Enolase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION | Authors: | Biswal, B.K, Ahmad, M, Jha, B. | Deposit date: | 2020-07-18 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
|
|
7CLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cll by Molmil](/molmil-images/mine/7cll) | Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate | Descriptor: | 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
|
|
7CLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7clk by Molmil](/molmil-images/mine/7clk) | Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | Deposit date: | 2020-07-21 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
|
|
4DUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dus by Molmil](/molmil-images/mine/4dus) | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Sickmier, E.A. | Deposit date: | 2012-02-22 | Release date: | 2012-10-10 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
|
|
5GSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
|
|
7RCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rco by Molmil](/molmil-images/mine/7rco) | |
8G6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g6c by Molmil](/molmil-images/mine/8g6c) | |
8G8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g8v by Molmil](/molmil-images/mine/8g8v) | |
1GOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gol by Molmil](/molmil-images/mine/1gol) | |
5BV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bv7 by Molmil](/molmil-images/mine/5bv7) | Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ... | Authors: | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | Deposit date: | 2015-06-04 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism. J.Biol.Chem., 291, 2016
|
|
5ZUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zuh by Molmil](/molmil-images/mine/5zuh) | |
8COH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8coh by Molmil](/molmil-images/mine/8coh) | Structure of the complement C5 specific nanobody TPP-3444 | Descriptor: | CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444 | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
|
|
8COE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8coe by Molmil](/molmil-images/mine/8coe) | complement C5 in complex with the LCP0195 nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ... | Authors: | Andersen, G.R, Pedersen, D.V. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
|
|
6BMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bmk by Molmil](/molmil-images/mine/6bmk) | Crystal structure of MHC-I like protein | Descriptor: | (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Khandokar, Y.B, Le Nours, J, Rossjohn, J. | Deposit date: | 2017-11-15 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
4RC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rc6 by Molmil](/molmil-images/mine/4rc6) | Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant | Descriptor: | Aldehyde decarbonylase, FE (II) ION | Authors: | Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R. | Deposit date: | 2014-09-14 | Release date: | 2014-12-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases. Protein Cell, 6, 2015
|
|
6BMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bmh by Molmil](/molmil-images/mine/6bmh) | Crystal structure of MHC-I like protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d2, ... | Authors: | Khandokar, Y.B, Le Nours, J, Rossjohn, J. | Deposit date: | 2017-11-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
1CN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cn4 by Molmil](/molmil-images/mine/1cn4) | |
6N33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n33 by Molmil](/molmil-images/mine/6n33) | Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622 | Descriptor: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y. | Deposit date: | 2018-11-14 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model. Nat Commun, 10, 2019
|
|
6NZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzr by Molmil](/molmil-images/mine/6nzr) | |