5TPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tpc by Molmil](/molmil-images/mine/5tpc) | Binding domain of BoNT/A complexed with ganglioside | Descriptor: | Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | Authors: | Berntsson, R.P.-A, Svensson, L.M, Stenmark, P. | Deposit date: | 2016-10-20 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A. J. Am. Chem. Soc., 139, 2017
|
|
3NOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3noi by Molmil](/molmil-images/mine/3noi) | Crystal Structure of Natural Killer Cell Cytotoxicity Receptor NKp30 (NCR3) | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CALCIUM ION, Natural cytotoxicity triggering receptor 3 | Authors: | Joyce, M.G, Sun, P.D. | Deposit date: | 2010-06-25 | Release date: | 2011-03-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Structure of the Natural Killer cell activating receptor NKp30 and dissection of ligand binding site Proc.Natl.Acad.Sci.USA, 2011
|
|
6S3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s3c by Molmil](/molmil-images/mine/6s3c) | Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
|
|
5X67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x67 by Molmil](/molmil-images/mine/5x67) | Human thymidylate synthase in complex with dUMP and nolatrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states. J. Biol. Chem., 292, 2017
|
|
4LTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lth by Molmil](/molmil-images/mine/4lth) | |
7AJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ajn by Molmil](/molmil-images/mine/7ajn) | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | Authors: | Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand To Be Published
|
|
3RUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rub by Molmil](/molmil-images/mine/3rub) | CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION | Descriptor: | ASPARAGINE, RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, ... | Authors: | Schreuder, H, Cascio, D, Curmi, P.M.G, Chapman, M.S, Suh, S.W, Eisenberg, D.S. | Deposit date: | 1990-05-25 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution. J.Biol.Chem., 267, 1992
|
|
1U35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u35 by Molmil](/molmil-images/mine/1u35) | Crystal structure of the nucleosome core particle containing the histone domain of macroH2A | Descriptor: | H2A histone family, Hist1h4i protein, Histone H3.1, ... | Authors: | Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | Deposit date: | 2004-07-20 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of the histone variant macroH2A. Mol.Cell.Biol., 25, 2005
|
|
6TWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6twn by Molmil](/molmil-images/mine/6twn) | Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223) | Descriptor: | CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ... | Authors: | Zacharchenko, T, Muench, S.P, Goult, B.T. | Deposit date: | 2020-01-13 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1. J.Biol.Chem., 297, 2021
|
|
6PHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6phc by Molmil](/molmil-images/mine/6phc) | |
3AAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aar by Molmil](/molmil-images/mine/3aar) | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with AMPPNP | Descriptor: | Ectonucleoside triphosphate diphosphohydrolase I, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Ge, H, Vivian, J.P, Beddoe, T, Rossjohn, J. | Deposit date: | 2009-11-24 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases Structure, 18, 2010
|
|
2J89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j89 by Molmil](/molmil-images/mine/2j89) | Functional and structural aspects of poplar cytosolic and plastidial type A methionine sulfoxide reductases | Descriptor: | BETA-MERCAPTOETHANOL, METHIONINE SULFOXIDE REDUCTASE A | Authors: | Rouhier, N, Kauffmann, B, Tete-Favier, F, Palladino, P, Gans, P, Branlant, G, Jacquot, J.P, Boschi-Muller, S. | Deposit date: | 2006-10-23 | Release date: | 2006-11-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Aspects of Poplar Cytosolic and Plastidial Type a Methionine Sulfoxide Reductases J.Biol.Chem., 282, 2007
|
|
6ETS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ets by Molmil](/molmil-images/mine/6ets) | Crystal structure of KDM4D with tetrazolhydrazide compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.333 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
|
|
7TBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tbo by Molmil](/molmil-images/mine/7tbo) | LOV2-DARPIN fusion : D12 | Descriptor: | D12 LOV2-DARPin fusion, GLYCEROL | Authors: | Mittl, P. | Deposit date: | 2021-12-22 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | LOV2-DARPIN fusion : D12 To Be Published
|
|
5C5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c5g by Molmil](/molmil-images/mine/5c5g) | |
6PNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pns by Molmil](/molmil-images/mine/6pns) | In situ structure of BTV RNA-dependent RNA polymerase in BTV virion | Descriptor: | Inner core structural protein VP3, RNA-directed RNA polymerase | Authors: | He, Y, Shivakoti, S, Ding, K, Cui, Y, Roy, P, Zhou, Z.H. | Deposit date: | 2019-07-03 | Release date: | 2019-08-07 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | In situ structures of RNA-dependent RNA polymerase inside bluetongue virus before and after uncoating. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6F2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f2a by Molmil](/molmil-images/mine/6f2a) | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/Lysine | Descriptor: | ACETIC ACID, CHLORIDE ION, FE (II) ION, ... | Authors: | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-11-24 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
|
|
6PQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pql by Molmil](/molmil-images/mine/6pql) | SBP RafE in complex with raffinose | Descriptor: | ABC transporter sugar-binding protein, beta-D-fructofuranose-(2-1)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose | Authors: | Meier, E.P.W, Boraston, A.B. | Deposit date: | 2019-07-09 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
|
|
4EPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4epa by Molmil](/molmil-images/mine/4epa) | |
7AVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avq by Molmil](/molmil-images/mine/7avq) | Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor (compound 12) | Descriptor: | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | Authors: | Chaikuad, A, Bonnet, P, Routier, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-05 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation. J Enzyme Inhib Med Chem, 35, 2020
|
|
8IG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ig7 by Molmil](/molmil-images/mine/8ig7) | |
3NYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nyn by Molmil](/molmil-images/mine/3nyn) | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with Sangivamycin | Descriptor: | (R,R)-2,3-BUTANEDIOL, G protein-coupled receptor kinase 6, SANGIVAMYCIN, ... | Authors: | Tesmer, J.J.G, Singh, P. | Deposit date: | 2010-07-15 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular basis for activation of G protein-coupled receptor kinases. Embo J., 29, 2010
|
|
6P2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2n by Molmil](/molmil-images/mine/6p2n) | Crystal structure of Paenibacillus graminis GH74 (PgGH74) | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Stogios, P.J. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
|
|
6F5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f5r by Molmil](/molmil-images/mine/6f5r) | Crystal Structure of KDM4D with GF028 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.607 Å) | Cite: | Crystal Structure of KDM4D with GF028 ligand To be published
|
|
6P48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p48 by Molmil](/molmil-images/mine/6p48) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
|
|