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3PSU
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BU of 3psu by Molmil
HIV-1 protease in complex with an isobutyl decorated oligoamine (symmetric binding mode)
Descriptor: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Multiple binding modes of a symmetric inhibitor in HIV-1 protease
To be Published
5D1X
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BU of 5d1x by Molmil
IsdB NEAT2 bound by D4-30
Descriptor: D4-30 Heavy Chain, D4-30 Light Chain, Iron-regulated surface determinant protein B, ...
Authors:Deng, X.
Deposit date:2015-08-04
Release date:2016-08-10
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
5DFN
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BU of 5dfn by Molmil
Structure of Tetrahymena Telomerase P45 C-terminal domain
Descriptor: Telomerase associated protein p45
Authors:Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
Deposit date:2015-08-27
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
5DFM
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BU of 5dfm by Molmil
Structure of Tetrahymena telomerase p19 fused to MBP
Descriptor: GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ...
Authors:Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
Deposit date:2015-08-27
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
3LEF
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BU of 3lef by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1Z6NA_001
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein 4E10_S0_1Z6NA_001 (T18)
Authors:Holmes, M.A.
Deposit date:2010-01-14
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3OZF
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BU of 3ozf by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine
Descriptor: HYPOXANTHINE, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Ho, M, Hazleton, K.Z, Almo, S.C, Schramm, V.L.
Deposit date:2010-09-24
Release date:2011-09-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase.
Chem.Biol., 19, 2012
3LG7
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BU of 3lg7 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1EZ3A_002_C
Descriptor: 4E10_S0_1EZ3A_002_C (T246), SULFATE ION
Authors:Holmes, M.A.
Deposit date:2010-01-19
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3HA6
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BU of 3ha6 by Molmil
Crystal structure of aurora A in complex with TPX2 and compound 10
Descriptor: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2
Authors:Zhao, B, Clark, M.A.
Deposit date:2009-05-01
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
7TUX
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BU of 7tux by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, ...
Authors:Harijan, R.K, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2022-02-03
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase.
Acs Chem.Biol., 17, 2022
6VEO
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BU of 6veo by Molmil
ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38)
Descriptor: 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION
Authors:Glass, K.C.
Deposit date:2020-01-02
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
7SZQ
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BU of 7szq by Molmil
Human P300 complexed with an azaindazole inhibitor
Descriptor: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-29
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SSK
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BU of 7ssk by Molmil
Human P300 complexed with a glycine-based inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ...
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SS8
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BU of 7ss8 by Molmil
Human P300 complexed with a proline-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ...
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
1FHF
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BU of 1fhf by Molmil
THE STRUCTURE OF SOYBEAN PEROXIDASE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Henriksen, A, Mirza, O, Indiana, C, Welinder, K, Teilum, K, Gajhede, M.
Deposit date:2000-08-01
Release date:2001-02-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions.
Protein Sci., 10, 2001
2PRK
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BU of 2prk by Molmil
SYNCHROTRON X-RAY DATA COLLECTION AND RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PROTEINASE K
Authors:Betzel, C, Pal, G.P, Saenger, W.
Deposit date:1987-11-30
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synchrotron X-ray data collection and restrained least-squares refinement of the crystal structure of proteinase K at 1.5 A resolution.
Acta Crystallogr.,Sect.B, 44, 1988
4B5Y
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BU of 4b5y by Molmil
X-ray structure of the cyan fluorescent protein mTurquoise-GL (K206A mutant) in space group C222(1)
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:von Stetten, D, Lelimousin, M, Oost, K, Noirclerc-Savoye, M, Gadella, T.W.J, Goedhart, J, Royant, A.
Deposit date:2012-08-08
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Influence of the H148G Mutation on Fluorescence Properties of Cyan Fluorescent Proteins
To be Published
3U4V
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BU of 3u4v by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-A
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-28
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U4Z
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BU of 3u4z by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-B
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U50
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BU of 3u50 by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-C
Descriptor: Telomerase-associated protein 82, ZINC ION
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U58
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BU of 3u58 by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 AB
Descriptor: DNA (5'-D(*GP*GP*GP*T)-3'), Tetrahymena Teb1 AB
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-11
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.613 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
1E33
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BU of 1e33 by Molmil
Crystal structure of an Arylsulfatase A mutant P426L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-06-06
Release date:2001-05-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Defective oligomerization of arylsulfatase a as a cause of its instability in lysosomes and metachromatic leukodystrophy.
J. Biol. Chem., 277, 2002
5U0L
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BU of 5u0l by Molmil
X-ray crystal structure of fatty aldehyde dehydrogenase enzymes from Marinobacter aquaeolei VT8 complexed with a substrate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Shi, K, Mulliner, K, Barney, B.M, Aihara, H.
Deposit date:2016-11-24
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket.
Appl. Environ. Microbiol., 83, 2017
5OGB
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BU of 5ogb by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360.
Descriptor: 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2
Authors:Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E.
Deposit date:2017-07-12
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways.
Acs Chem.Biol., 14, 2019
5NL7
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BU of 5nl7 by Molmil
The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative
Authors:Pinotsis, N, Djinovic-Carugo, K, Khan, M.B.
Deposit date:2017-04-04
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
4IC3
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BU of 4ic3 by Molmil
Crystal structure of the F495L mutant XIAP RING domain
Descriptor: E3 ubiquitin-protein ligase XIAP, NICKEL (II) ION, ZINC ION
Authors:Nakatani, Y, Day, C.L.
Deposit date:2012-12-09
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Regulation of ubiquitin transfer by XIAP, a dimeric RING E3 ligase
Biochem.J., 450, 2013

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