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8AK6
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BU of 8ak6 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK9
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BU of 8ak9 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment Isatin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
1YNP
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BU of 1ynp by Molmil
aldo-keto reductase AKR11C1 from Bacillus halodurans (apo form)
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D.
Deposit date:2005-01-25
Release date:2005-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase
J.Mol.Biol., 354, 2005
8AK7
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BU of 8ak7 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine
Descriptor: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKA
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BU of 8aka by Molmil
Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKE
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BU of 8ake by Molmil
Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK8
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BU of 8ak8 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide
Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKG
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BU of 8akg by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6VM4
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BU of 6vm4 by Molmil
Chloroplast ATP synthase (C2, CF1FO)
Descriptor: ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ...
Authors:Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
Deposit date:2020-01-27
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.08 Å)
Cite:Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
1XIO
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BU of 1xio by Molmil
Anabaena sensory rhodopsin
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ANABAENA SENSORY RHODOPSIN, RETINAL
Authors:Vogeley, L, Luecke, H.
Deposit date:2004-09-21
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A.
Science, 306, 2004
8EV1
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BU of 8ev1 by Molmil
Dual Modulators
Descriptor: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ...
Authors:Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
Deposit date:2022-10-19
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
8B5T
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BU of 8b5t by Molmil
Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
Descriptor: Quinonoid dihydropteridine reductase
Authors:Robinson, D.A, Fairlamb, A.H.
Deposit date:2022-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
To Be Published
8A71
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BU of 8a71 by Molmil
Crystal structure of right-handed Z-DNA containing 2'-deoxy-L-ribose in complex with the polyamine cadaverine and potassium cations at ultrahigh resolution
Descriptor: 5-azaniumylpentylazanium, POTASSIUM ION, Right-handed Z-DNA
Authors:Drozdzal, P, Manszewski, T, Gilski, M, Brzezinski, K, Jaskolski, M.
Deposit date:2022-06-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.69 Å)
Cite:Right-handed Z-DNA at ultrahigh resolution: a tale of two hands and the power of the crystallographic method.
Acta Crystallogr D Struct Biol, 79, 2023
8FC1
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BU of 8fc1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.50A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
8B8A
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BU of 8b8a by Molmil
Multimerization domain of borna disease virus 1 phosphoprotein
Descriptor: Phosphoprotein
Authors:Tarbouriech, N, Legrand, P, Bourhis, J.M, Chenavier, F, Freslon, L, Kawasaki, J, Horie, M, Tomonaga, K, Bachiri, K, Coyaud, E, Gonzalez-Dunia, D, Ruigrok, R.W.H, Crepin, T.
Deposit date:2022-10-04
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
8BGC
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BU of 8bgc by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
Descriptor: 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
8BAD
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BU of 8bad by Molmil
Tpp80Aa1
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ...
Authors:Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E.
Deposit date:2022-10-11
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
2ZEB
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BU of 2zeb by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Descriptor: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
1XPL
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BU of 1xpl by Molmil
Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine
Descriptor: 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION
Authors:Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
Deposit date:2004-10-08
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
8AHQ
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BU of 8ahq by Molmil
VirD/holo-ACP5b of Streptomyces virginiae complex
Descriptor: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ...
Authors:Collin, S, Gruez, A.
Deposit date:2022-07-22
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
2Z8Y
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BU of 2z8y by Molmil
Xenon-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase(CODH/ACS) from Moorella thermoacetica
Descriptor: COPPER (I) ION, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit alpha, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit beta, ...
Authors:Doukov, T.I, Blasiak, L.C, Drennan, C.L.
Deposit date:2007-09-12
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Biochemistry, 47, 2008
1ZAH
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BU of 1zah by Molmil
Fructose-1,6-bisphosphate aldolase from rabbit muscle
Descriptor: Fructose-bisphosphate aldolase A
Authors:St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J.
Deposit date:2005-04-06
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
1ZF3
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BU of 1zf3 by Molmil
ATC Four-stranded DNA Holliday Junction
Descriptor: 5'-D(*CP*CP*GP*AP*TP*AP*TP*CP*GP*G)-3', CALCIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-19
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZFH
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BU of 1zfh by Molmil
TTA Duplex B-DNA
Descriptor: 5'-D(*CP*CP*TP*AP*AP*TP*TP*AP*GP*G)-3'
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZG5
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BU of 1zg5 by Molmil
NarL complexed to narG-89 promoter palindromic tail-to-tail DNA site
Descriptor: 5'-D(*CP*GP*TP*AP*CP*CP*CP*CP*TP*AP*TP*AP*GP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, SULFATE ION
Authors:Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E.
Deposit date:2005-04-20
Release date:2005-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005

224004

건을2024-08-21부터공개중

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