2QA6
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![BU of 2qa6 by Molmil](/molmil-images/mine/2qa6) | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-14 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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3EUI
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![BU of 3eui by Molmil](/molmil-images/mine/3eui) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in a large unit cell | Descriptor: | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', ... | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | Deposit date: | 2008-10-10 | Release date: | 2008-12-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
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3ERU
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![BU of 3eru by Molmil](/molmil-images/mine/3eru) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045 | Descriptor: | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | Deposit date: | 2008-10-03 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
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3ES0
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![BU of 3es0 by Molmil](/molmil-images/mine/3es0) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048 | Descriptor: | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | Deposit date: | 2008-10-03 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
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2FMY
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![BU of 2fmy by Molmil](/molmil-images/mine/2fmy) | |
3DJK
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![BU of 3djk by Molmil](/molmil-images/mine/3djk) | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | Descriptor: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | Authors: | Wang, Y.F, Weber, I.T. | Deposit date: | 2008-06-23 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies J.Med.Chem., 51, 2008
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2G8T
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![BU of 2g8t by Molmil](/molmil-images/mine/2g8t) | |
8EPU
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![BU of 8epu by Molmil](/molmil-images/mine/8epu) | |
8EPV
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![BU of 8epv by Molmil](/molmil-images/mine/8epv) | 2.2 A crystal structure of the lipocalin cat allergen Fel d 7 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ... | Authors: | Min, J, Pedersen, L.C, Geoffrey, M.A. | Deposit date: | 2022-10-06 | Release date: | 2023-04-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7. Front Allergy, 4, 2023
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2FXV
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![BU of 2fxv by Molmil](/molmil-images/mine/2fxv) | Bacillus subtilis Xanthine Phosphoribosyltransferase in Complex with Guanosine 5'-monophosphate (GMP) | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Xanthine phosphoribosyltransferase | Authors: | Arent, S, Kadziola, A, Larsen, S, Neuhard, J, Jensen, K.F. | Deposit date: | 2006-02-06 | Release date: | 2006-06-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Extraordinary Specificity of Xanthine Phosphoribosyltransferase from Bacillus subtilis Elucidated
by Reaction Kinetics, Ligand Binding, and Crystallography Biochemistry, 45, 2006
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6EQQ
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![BU of 6eqq by Molmil](/molmil-images/mine/6eqq) | Human butyrylcholinesterase in complex with huprine 19 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | Deposit date: | 2017-10-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.40000439 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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7Q51
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![BU of 7q51 by Molmil](/molmil-images/mine/7q51) | yeast Gid10 bound to a Phe/N-peptide | Descriptor: | CHLORIDE ION, FWLPANLW peptide, Uncharacterized protein YGR066C | Authors: | Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases. J.Mol.Biol., 434, 2022
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7Q50
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![BU of 7q50 by Molmil](/molmil-images/mine/7q50) | human Gid4 bound to a Phe/N-peptide | Descriptor: | FDVSWFMG peptide, Glucose-induced degradation protein 4 homolog | Authors: | Chrustowicz, J, Sherpa, D, Loke, M.S, Prabu, J.R, Schulman, B.A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases. J.Mol.Biol., 434, 2022
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7Q4Y
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![BU of 7q4y by Molmil](/molmil-images/mine/7q4y) | |
2G5V
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5XPL
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![BU of 5xpl by Molmil](/molmil-images/mine/5xpl) | Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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6Y5N
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![BU of 6y5n by Molmil](/molmil-images/mine/6y5n) | RING-DTC domain of Deltex1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase DTX1, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-25 | Release date: | 2020-09-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases. Sci Adv, 6, 2020
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3HI5
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![BU of 3hi5 by Molmil](/molmil-images/mine/3hi5) | Crystal structure of Fab fragment of AL-57 | Descriptor: | Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain | Authors: | Zhang, H, Wang, J. | Deposit date: | 2009-05-18 | Release date: | 2009-09-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1. Proc.Natl.Acad.Sci.USA, 106, 2009
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6Y5P
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![BU of 6y5p by Molmil](/molmil-images/mine/6y5p) | RING-DTC domain of Deltex1 bound to NAD | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-25 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases. Sci Adv, 6, 2020
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5IJ2
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![BU of 5ij2 by Molmil](/molmil-images/mine/5ij2) | SrpA adhesin in complex with sialyllactosamine | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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4PUW
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![BU of 4puw by Molmil](/molmil-images/mine/4puw) | |
5IJ1
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![BU of 5ij1 by Molmil](/molmil-images/mine/5ij1) | SrpA adhesin in complex with sialyllactose | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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8I94
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![BU of 8i94 by Molmil](/molmil-images/mine/8i94) | Structure of flavone 4'-O-glucoside 7-O-glucosyltransferase from Nemophila menziesii, complex with luteolin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Glycosyltransferase, SULFATE ION | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M. | Deposit date: | 2023-02-06 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Molecular basis of ligand recognition specificity of flavone glucosyltransferases in Nemophila menziesii. Arch.Biochem.Biophys., 753, 2024
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5IJ3
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![BU of 5ij3 by Molmil](/molmil-images/mine/5ij3) | SrpA adhesin in complex with sialyl T antigen | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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3DYE
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![BU of 3dye by Molmil](/molmil-images/mine/3dye) | Crystal structure of AED7-norepineprhine complex | Descriptor: | BROMIDE ION, D7 protein, GLYCEROL, ... | Authors: | Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M. | Deposit date: | 2008-07-27 | Release date: | 2009-02-03 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein Proc.Natl.Acad.Sci.USA, 106, 2009
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