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PDB: 140 件

6MX3
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BU of 6mx3 by Molmil
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1
分子名称: (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, CALCIUM ION, Stimulator of interferon genes protein
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.362 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
3UF8
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Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A surface mutation from Burkholderia pseudomallei complexed with FK506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-10-31
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
4EMT
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Crystal Structure of human STING bound to c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173
著者Li, P.
登録日2012-04-12
公開日2012-06-13
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of STING bound to cyclic di-GMP reveals the mechanism of cyclic dinucleotide recognition by the immune system.
Nat.Struct.Mol.Biol., 19, 2012
6UKZ
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STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
分子名称: 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
3UQA
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Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation A54E from Burkholderia pseudomallei complexed with FK506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-19
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
3VAW
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BU of 3vaw by Molmil
Crystal structure of a smt fusion peptidyl-prolyl cis-trans isomerase with surface mutation v3i from burkholderia pseudomallei complexed with fk506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-12-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
7P7W
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BU of 7p7w by Molmil
N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine and ADP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Roy, S, Isupov, M.N, Harmer, N.J, Ames, J.R.
登録日2021-07-20
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases
J.Biol.Chem., 2022
5YCA
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Crystal structure of inner membrane protein Bqt4 in complex with LEM2
分子名称: Lap-Emerin-Man domain protein 2, Ubiquitin-like protein SMT3,Bouquet formation protein 4
著者Chen, Y, Hu, C.
登録日2017-09-07
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural insights into chromosome attachment to the nuclear envelope by an inner nuclear membrane protein Bqt4 in fission yeast.
Nucleic Acids Res., 47, 2019
1EUV
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X-RAY STRUCTURE OF THE C-TERMINAL ULP1 PROTEASE DOMAIN IN COMPLEX WITH SMT3, THE YEAST ORTHOLOG OF SUMO.
分子名称: UBITQUTIN-LIKE PROTEIN SMT3, ULP1 PROTEASE
著者Mossessova, E, Lima, C.D.
登録日2000-04-17
公開日2000-06-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ulp1-SUMO crystal structure and genetic analysis reveal conserved interactions and a regulatory element essential for cell growth in yeast.
Mol.Cell, 5, 2000
6UKU
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BU of 6uku by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
分子名称: 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
7P7I
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BU of 7p7i by Molmil
Native structure of N-acetylglucosamine kinase from Plesiomonas shigelloides
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Roy, S, Isupov, M.N, Harmer, N.J, Ames, J.R.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases
J.Biol.Chem., 2022
7ZKU
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BU of 7zku by Molmil
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
分子名称: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one, Stimulator of interferon protein
著者Klima, M, Smola, M, Boura, E.
登録日2022-04-13
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
To Be Published
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
分子名称: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
著者Duvall, J.R, Bukhalid, R.A.
登録日2023-05-10
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
6MX0
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BU of 6mx0 by Molmil
Crystal structure of human STING apoprotein (G230A, H232R, R293Q)
分子名称: CALCIUM ION, Stimulator of interferon genes protein
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
6UKM
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BU of 6ukm by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
分子名称: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-05
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
4G50
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BU of 4g50 by Molmil
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation D44G from Burkholderia pseudomallei complexed with CJ168
分子名称: 1,2-ETHANEDIOL, 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-17
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
7P9L
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BU of 7p9l by Molmil
N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ...
著者Roy, S, Isupov, M.N, Harmer, N.J, Ames, J.R.
登録日2021-07-27
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases
J.Biol.Chem., 2022
6P81
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BU of 6p81 by Molmil
Structure of DNA polymerase III, beta subunit/ beta sliding clamp from Klebsiella pneumoniae, expressed with an N-terminal His-Smt3 fusion tag, in complex with Griselimycin
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-06-06
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of DNA polymerase III, beta subunit/ beta sliding clamp from Klebsiella pneumoniae, expressed with an N-terminal His-Smt3 fusion tag, in complex with Griselimycin
to be published
6UL0
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BU of 6ul0 by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
分子名称: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6XNP
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Crystal Structure of Human STING CTD complex with SR-717
分子名称: 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ...
著者Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
登録日2020-07-03
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
6UKV
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STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6O49
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BU of 6o49 by Molmil
CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
分子名称: (2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-28
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
to be published
4QXO
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BU of 4qxo by Molmil
Crystal structure of hSTING(group2) in complex with DMXAA
分子名称: (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein
著者Gao, P, Patel, D.J.
登録日2014-07-21
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
4KSY
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BU of 4ksy by Molmil
Crystal structure of STING in complex with cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Zhang, X, Chen, Z.J, Zhang, X.W.
登録日2013-05-18
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Cyclic GMP-AMP Containing Mixed Phosphodiester Linkages Is An Endogenous High-Affinity Ligand for STING.
Mol.Cell, 51, 2013

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件を2024-07-10に公開中

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