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7SYC
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BU of 7syc by Molmil
Crystal Structure of Nucleoside triphosphate pyrophosphohydrolase from Klebsiella pneumoniae subsp. pneumoniae
Descriptor: 7,8-dihydro-8-oxoguanine-triphosphatase, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-24
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nucleoside triphosphate pyrophosphohydrolase from Klebsiella pneumoniae subsp. pneumoniae
to be published
4V61
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BU of 4v61 by Molmil
Homology model for the Spinach chloroplast 30S subunit fitted to 9.4A cryo-EM map of the 70S chlororibosome.
Descriptor: 16S rRNA, 23S rRNA, 4.8S rRNA, ...
Authors:Sharma, M.R, Wilson, D.N, Datta, P.P, Barat, C, Schluenzen, F, Fucini, P, Agrawal, R.K.
Deposit date:2007-11-09
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Cryo-EM study of the spinach chloroplast ribosome reveals the structural and functional roles of plastid-specific ribosomal proteins
Proc.Natl.Acad.Sci.Usa, 104, 2007
4WA6
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BU of 4wa6 by Molmil
Structure of yeast SAGA DUBm with Sgf73 N59D mutant at 2.36 angstroms resolution
Descriptor: SAGA-associated factor 11, SAGA-associated factor 73, Transcription and mRNA export factor SUS1, ...
Authors:Wolberger, C, Yan, M.
Deposit date:2014-08-28
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure of yeast SAGA DUBm with Sgf73 N59D mutant at 2.36 angstroms resolution
To Be Published
4V4Z
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BU of 4v4z by Molmil
70S Thermus thermophilous ribosome functional complex with mRNA and E- and P-site tRNAs at 4.5A.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
Deposit date:2006-06-27
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
4W5T
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BU of 4w5t by Molmil
The Crystal Structure of Human Argonaute2 Bound to a Guide and Target RNA Containing Seed Pairing from 2-7
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2014-08-18
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gene regulation. Structural basis for microRNA targeting.
Science, 346, 2014
4V4Y
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BU of 4v4y by Molmil
Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
Deposit date:2006-06-27
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
4W5N
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BU of 4w5n by Molmil
The Crystal Structure of Human Argonaute2 Bound to a Defined Guide RNA
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2014-08-18
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Gene regulation. Structural basis for microRNA targeting.
Science, 346, 2014
4M3B
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BU of 4m3b by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
Descriptor: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
Authors:Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
Deposit date:2013-08-06
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
4W5O
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BU of 4w5o by Molmil
The Crystal Structure of Human Argonaute2 Bound to a Guide and Target RNA Containing Seed Pairing from 2-9
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, PHENOL, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2014-08-18
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Gene regulation. Structural basis for microRNA targeting.
Science, 346, 2014
6T83
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BU of 6t83 by Molmil
Structure of yeast disome (di-ribosome) stalled on poly(A) tract.
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R.
Deposit date:2019-10-24
Release date:2019-12-25
Last modified:2020-02-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts.
Embo J., 39, 2020
6T7T
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BU of 6t7t by Molmil
Structure of yeast 80S ribosome stalled on poly(A) tract.
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R.
Deposit date:2019-10-23
Release date:2019-12-25
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts.
Embo J., 39, 2020
4WHG
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BU of 4whg by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 3
Descriptor: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
Deposit date:2014-09-22
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WHF
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BU of 4whf by Molmil
Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one
Descriptor: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
Deposit date:2014-09-22
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WLB
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BU of 4wlb by Molmil
Crystal structure of RORc in complex with a partial inverse agonist compound
Descriptor: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ...
Authors:Boenig, G, Hymowitz, S.G, Kiefer, J.R.
Deposit date:2014-10-07
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
5QRH
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BU of 5qrh by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32327641
Descriptor: CADMIUM ION, T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QS6
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BU of 5qs6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z44592329
Descriptor: N-phenyl-N'-pyridin-3-ylurea, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Fernandez-Cid, A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-06-19
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSK
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BU of 5qsk by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434906
Descriptor: (benzyloxy)acetic acid, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QS7
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BU of 5qs7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641
Descriptor: T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSL
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BU of 5qsl by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1273312153
Descriptor: CADMIUM ION, N-methyl-1H-indole-7-carboxamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PanDDA analysis group deposition
To Be Published
4WPF
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BU of 4wpf by Molmil
Crystal structure of RORc in complex with a phenyl sulfonamide agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS
Authors:Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-18
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
5QRM
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BU of 5qrm by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917
Descriptor: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, CADMIUM ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSD
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BU of 5qsd by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z54571979
Descriptor: N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PanDDA analysis group deposition
To Be Published
4X1G
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BU of 4x1g by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
5QRK
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BU of 5qrk by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275179758
Descriptor: CADMIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSC
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BU of 5qsc by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z300245038
Descriptor: N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PanDDA analysis group deposition
To Be Published

224931

數據於2024-09-11公開中

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