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8FLK
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BU of 8flk by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2
分子名称: 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP
著者Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
登録日2022-12-21
公開日2023-11-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
8I4Z
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BU of 8i4z by Molmil
CalA3 with hydrolysis product
分子名称: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I
著者Wang, J, Wang, Z.
登録日2023-01-21
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
8I4Y
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BU of 8i4y by Molmil
CalA3 complex structure with amidation product
分子名称: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I
著者Wang, J, Wang, Z.
登録日2023-01-21
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
著者Hong, Y, Feng, Y.C, Liu, Y.
登録日2020-07-02
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
2KUB
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BU of 2kub by Molmil
Solution structure of the alpha subdomain of the major non-repeat unit of Fap1 fimbriae of Streptococcus parasanguis
分子名称: Fimbriae-associated protein Fap1
著者Ramboarina, S, Garnett, J.A, Bodey, A, Simpson, P, Bardiaux, B, Nilges, M, Matthews, S.
登録日2010-02-17
公開日2010-07-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural insights into serine-rich fimbriae from gram-positive bacteria.
J.Biol.Chem., 2010
2JRB
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BU of 2jrb by Molmil
C-terminal domain of ORF1p from mouse LINE-1
分子名称: ORF 1 protein
著者Januszyk, K, Clubb, R.
登録日2007-06-21
公開日2007-07-17
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1.
J.Biol.Chem., 282, 2007
2L88
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BU of 2l88 by Molmil
Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
分子名称: 5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'
著者Tong, X, Cao, C.
登録日2011-01-06
公開日2011-05-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
Nucleic Acids Res., 39, 2011
6IRH
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BU of 6irh by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRF
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BU of 6irf by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
4NY9
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BU of 4ny9 by Molmil
Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2013-12-10
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J.Med.Chem., 57, 2014
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
6AU2
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BU of 6au2 by Molmil
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
分子名称: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
著者MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-30
公開日2017-10-11
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
6ATT
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BU of 6att by Molmil
39S Fab bound to HER2 ecd
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 39S Fab heavy chain, ...
著者Oganesyan, V.Y, Dall'Acqua, W.F.
登録日2017-08-29
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Structural insights into the mechanism of action of a biparatopic anti-HER2 antibody.
J. Biol. Chem., 293, 2018
6BHD
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BU of 6bhd by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ...
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6BHH
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BU of 6bhh by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ...
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6BHE
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BU of 6bhe by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6BHG
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BU of 6bhg by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6BHI
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BU of 6bhi by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6CDB
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BU of 6cdb by Molmil
Crystal Structure of V66L CzrA in the Zn(II)bound state
分子名称: ArsR family transcriptional regulator, CHLORIDE ION, SODIUM ION, ...
著者Capdevila, D.A, Campanello, G, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2018-02-08
公開日2018-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
2I7C
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BU of 2i7c by Molmil
The crystal structure of spermidine synthase from p. falciparum in complex with AdoDATO
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE, ...
著者Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2006-08-30
公開日2006-09-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
2HTE
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BU of 2hte by Molmil
The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, SULFATE ION, ...
著者Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2006-07-25
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
1QFW
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TERNARY COMPLEX OF HUMAN CHORIONIC GONADOTROPIN WITH FV ANTI ALPHA SUBUNIT AND FV ANTI BETA SUBUNIT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (ANTI ALPHA SUBUNIT) (HEAVY CHAIN), ANTIBODY (ANTI ALPHA SUBUNIT) (LIGHT CHAIN), ...
著者Tegoni, M, Spinelli, S, Cambillau, C.
登録日1999-04-15
公開日2000-04-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of a ternary complex between human chorionic gonadotropin (hCG) and two Fv fragments specific for the alpha and beta-subunits.
J.Mol.Biol., 289, 1999
1C8G
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BU of 1c8g by Molmil
FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
分子名称: CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID
著者Rossmann, M.G, Simpson, A.A.
登録日2000-05-05
公開日2000-08-09
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000
1C8D
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BU of 1c8d by Molmil
CANINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
分子名称: CALCIUM ION, CANINE PARVOVIRUS CAPSID
著者Rossmann, M.G, Simpson, A.A.
登録日2000-05-05
公開日2000-08-09
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000
1C8H
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BU of 1c8h by Molmil
CANINE PARVOVIRUS STRAIN D EMPTY CAPSID STRUCTURE AT PH 5.5
分子名称: CALCIUM ION, CANINE PARVOVIRUS CAPSID
著者Rossmann, M.G, Simpson, A.A.
登録日2000-05-05
公開日2000-08-09
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000

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