4Y24
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![BU of 4y24 by Molmil](/molmil-images/mine/4y24) | Complex of human Galectin-1 and TD-139 | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
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4XBN
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4XBQ
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![BU of 4xbq by Molmil](/molmil-images/mine/4xbq) | |
4XMT
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4XNA
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4P7I
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![BU of 4p7i by Molmil](/molmil-images/mine/4p7i) | Crystal structure of the Merlin FERM/DCAF1 complex | Descriptor: | GLYCEROL, Merlin, Protein VPRBP | Authors: | Wei, Z, Li, Y, Zhang, M. | Deposit date: | 2014-03-27 | Release date: | 2014-04-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of the binding of Merlin FERM domain to the E3 ubiquitin ligase substrate adaptor DCAF1. J.Biol.Chem., 289, 2014
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4XO3
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4XJK
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![BU of 4xjk by Molmil](/molmil-images/mine/4xjk) | Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ... | Authors: | Drennan, C.L, Bowman, S.E.J. | Deposit date: | 2015-01-08 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis. J.Am.Chem.Soc., 137, 2015
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4QGC
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![BU of 4qgc by Molmil](/molmil-images/mine/4qgc) | crystal structure of PKM2-K422R mutant | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase PKM, ... | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | Deposit date: | 2014-05-22 | Release date: | 2015-02-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2. Protein Cell, 6, 2015
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4XNX
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![BU of 4xnx by Molmil](/molmil-images/mine/4xnx) | X-ray structure of Drosophila dopamine transporter in complex with reboxetine | Descriptor: | (2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine, Antibody fragment heavy chain, CHLORIDE ION, ... | Authors: | Aravind, P, Wang, K, Gouaux, E. | Deposit date: | 2015-01-16 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine. Nat.Struct.Mol.Biol., 22, 2015
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4QIB
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![BU of 4qib by Molmil](/molmil-images/mine/4qib) | Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | Deposit date: | 2014-05-30 | Release date: | 2015-02-04 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1. Biochim.Biophys.Acta, 1852, 2015
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4XP6
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![BU of 4xp6 by Molmil](/molmil-images/mine/4xp6) | X-ray structure of Drosophila dopamine transporter bound to psychostimulant methamphetamine | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody fragment heavy chain-protein, ... | Authors: | Aravind, P, Wang, K, Gouaux, E. | Deposit date: | 2015-01-16 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter. Nature, 521, 2015
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4QK7
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4QKC
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![BU of 4qkc by Molmil](/molmil-images/mine/4qkc) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2014-06-05 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XB5
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![BU of 4xb5 by Molmil](/molmil-images/mine/4xb5) | Structure of orange carotenoid protein binding canthaxanthin | Descriptor: | GLYCEROL, Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | Authors: | Kerfeld, C.A, Sutter, M, Leverenz, R.L. | Deposit date: | 2014-12-16 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection. Science, 348, 2015
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4Q1P
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4XEW
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![BU of 4xew by Molmil](/molmil-images/mine/4xew) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-12-25 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4PZR
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4Q1R
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![BU of 4q1r by Molmil](/molmil-images/mine/4q1r) | Galectin-1 in Complex with Ligand AN027 | Descriptor: | Galectin-1, SULFATE ION, propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside | Authors: | Grimm, C, Bertleff-Zieschang, N. | Deposit date: | 2014-04-04 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Galectin-1 in Complex with Ligand AN027 To be Published
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4XK8
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![BU of 4xk8 by Molmil](/molmil-images/mine/4xk8) | Crystal structure of plant photosystem I-LHCI super-complex at 2.8 angstrom resolution | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Suga, M, Qin, X, Kuang, T, Shen, J.R. | Deposit date: | 2015-01-10 | Release date: | 2015-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for energy transfer pathways in the plant PSI-LHCI supercomplex Science, 348, 2015
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4Q4I
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![BU of 4q4i by Molmil](/molmil-images/mine/4q4i) | Crystal structure of E.coli aminopeptidase N in complex with amastatin | Descriptor: | Amastatin, Aminopeptidase N, GLYCEROL, ... | Authors: | Reddi, R, Ganji, R.J, Addlagatta, A. | Deposit date: | 2014-04-14 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N. Protein Sci., 24, 2015
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4XZC
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![BU of 4xzc by Molmil](/molmil-images/mine/4xzc) | The crystal structure of Kupe virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Q9O
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![BU of 4q9o by Molmil](/molmil-images/mine/4q9o) | Crystal structure of Upps + inhibitor | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, Isoprenyl transferase, SULFATE ION | Authors: | Liu, S, Qiu, X. | Deposit date: | 2014-05-01 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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4Q5R
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