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6FMO
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BU of 6fmo by Molmil
Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
Descriptor: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2018-02-01
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
2CCB
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BU of 2ccb by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
Descriptor: CHLORIDE ION, MAGNESIUM ION, RIBOFLAVIN, ...
Authors:Grininger, M, Zeth, K, Oesterhelt, D.
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
1QKB
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BU of 1qkb by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KVK
Descriptor: ACETATE ION, PEPTIDE LYS-VAL-LYS, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, ...
Authors:Tame, J.R.H, Sleigh, S.H, Wilkinson, A.J.
Deposit date:1999-07-14
Release date:1999-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic and Calorimetric Analysis of Peptide Binding to Oppa Protein
J.Mol.Biol., 291, 1999
2GY5
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BU of 2gy5 by Molmil
Tie2 Ligand-Binding Domain Crystal Structure
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ...
Authors:Barton, W.A, Nikolov, D.B.
Deposit date:2006-05-09
Release date:2006-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the Tie2 receptor ectodomain and the angiopoietin-2-Tie2 complex.
Nat.Struct.Mol.Biol., 13, 2006
8G4S
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BU of 8g4s by Molmil
40S ribosomal subunit of the 80S Giardia intestinalis assemblage A ribosome with Emetine bound in V2 conformation with mRNA and three tRNAs.
Descriptor: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
Authors:Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
Deposit date:2023-02-10
Release date:2024-01-31
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
6X4B
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BU of 6x4b by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-5-fluoro-8-methyl-2-naphthonitrile (JLJ655), a Non-nucleoside Inhibitor
Descriptor: 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-05-22
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
5W2D
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BU of 5w2d by Molmil
Crystal structure of mutant CJ YCEI protein (CJ-G34C) for nanotechnology applications
Descriptor: Polyisoprenoid-binding protein, SULFATE ION, UNKNOWN LIGAND
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-06
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
5W30
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BU of 5w30 by Molmil
Crystal structure of mutant CJ YCEI protein (CJ-N48C) with monobromobimane guest structure
Descriptor: 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Putative periplasmic protein, SULFATE ION, ...
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-07
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
Descriptor: Cry1A.2
Authors:Rydel, T.J, Evdokimov, A.
Deposit date:2020-04-27
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
Descriptor: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Joseph, S, Rodenberger, A.
Deposit date:2020-05-04
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7MSK
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BU of 7msk by Molmil
ThuS glycosin S-glycosyltransferase
Descriptor: Glyco_trans_2-like domain-containing protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
7MSN
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BU of 7msn by Molmil
SunS glycosin S-glycosyltransferase
Descriptor: SPbeta prophage-derived glycosyltransferase SunS, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
6WHN
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BU of 6whn by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
7MSP
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BU of 7msp by Molmil
SunS glycosin S-glycosyltransferase
Descriptor: MAGNESIUM ION, SPbeta prophage-derived glycosyltransferase SunS, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
6WHQ
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BU of 6whq by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
7MAE
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BU of 7mae by Molmil
HIV-1 Protease (I84V) in Complex with PU1 (LR3-46)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
Descriptor: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
7MNP
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BU of 7mnp by Molmil
Crystal Structure of the ZnF2 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNK
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BU of 7mnk by Molmil
Crystal structure of the tetramerization element of NUP358/RanBP2 (residues 805-832)
Descriptor: 1,2-ETHANEDIOL, E3 SUMO-protein ligase RanBP2, SULFATE ION
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNJ
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BU of 7mnj by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 145-673)
Descriptor: E3 SUMO-protein ligase RanBP2
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Patke, A, Dasso, M, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNR
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BU of 7mnr by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNU
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BU of 7mnu by Molmil
Crystal Structure of the ZnF7 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022

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