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4Y24
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BU of 4y24 by Molmil
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
4XBN
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BU of 4xbn by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XMT
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BU of 4xmt by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
Descriptor: Aminopeptidase N, DIAMINOPROPANOIC ACID, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
To Be Published
4XNA
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BU of 4xna by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Beta Homolysine
Descriptor: (3S)-3,7-DIAMINOHEPTANOIC ACID, Aminopeptidase N, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Beta Homolysin
To Be Published
4P7I
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BU of 4p7i by Molmil
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
4XO3
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BU of 4xo3 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Leucine
Descriptor: Aminopeptidase N, GLYCEROL, LEUCINE, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Leucine
To Be Published
4XJK
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BU of 4xjk by Molmil
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
4QGC
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BU of 4qgc by Molmil
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
4XNX
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BU of 4xnx by Molmil
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
4QIB
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BU of 4qib by Molmil
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
4XP6
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BU of 4xp6 by Molmil
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
4QK7
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BU of 4qk7 by Molmil
Influenza A M2 wild type TM domain at high 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.
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
4QKC
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BU of 4qkc by Molmil
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
4XB5
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BU of 4xb5 by Molmil
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
4Q1P
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BU of 4q1p by Molmil
Galectin-1 in Complex with Ligand NB169
Descriptor: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-04
Release date:2015-10-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Galectin-1 in Complex with Ligand NB169
To be Published
4XEW
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BU of 4xew by Molmil
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
4PZR
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BU of 4pzr by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2014-03-31
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
4Q1R
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BU of 4q1r by Molmil
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
4XK8
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BU of 4xk8 by Molmil
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
4Q4I
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BU of 4q4i by Molmil
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
4XZC
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BU of 4xzc by Molmil
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
4XQW
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BU of 4xqw by Molmil
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
4Q9O
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BU of 4q9o by Molmil
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
4Q5R
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BU of 4q5r by Molmil
Crystal Structure of Glutathione S-transferase Bla g 5
Descriptor: CHLORIDE ION, GLUTATHIONE, GLYCEROL, ...
Authors:Pedersen, L.C, Mueller, G.A.
Deposit date:2014-04-17
Release date:2015-04-01
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Crystal Structure of Glutathione S-transferase Bla g 5
To be Published

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