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8YLA
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BU of 8yla by Molmil
Crystal structures of terpene synthases complexed with a substrate mimic
分子名称: MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ...
著者Xu, M, Ma, M.
登録日2024-03-05
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Angew.Chem.Int.Ed.Engl., 63, 2024
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
分子名称: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
著者Vecchio, A.J.
登録日2024-04-15
公開日2024-04-24
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 2024
6Z15
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BU of 6z15 by Molmil
Human wtSTING in complex with 3',3'-c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-12
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z0Z
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BU of 6z0z by Molmil
Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP)
分子名称: 2'-fluoro-,3',3'-c-di-AMP, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-11
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7R4H
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BU of 7r4h by Molmil
phospho-STING binding to adaptor protein complex-1
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Xu, P, Ablasser, A.
登録日2022-02-08
公開日2022-09-14
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (2.34 Å)
主引用文献Clathrin-associated AP-1 controls termination of STING signalling.
Nature, 610, 2022
7JFS
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BU of 7jfs by Molmil
The structure of the CBM32-1, CBM32-2, and M60 catalytic domains from Clostridium perfringens ZmpB
分子名称: F5/8 type C domain protein, ZINC ION
著者Pluvinage, B, Boraston, A.B.
登録日2020-07-17
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XNN
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BU of 6xnn by Molmil
Crystal Structure of Mouse STING CTD complex with SR-717.
分子名称: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
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 (2.49 Å)
主引用文献Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
6L7Z
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BU of 6l7z by Molmil
Solution NMR structure of the N-terminal immunoglobulin variable domain of BTNL2
分子名称: Butyrophilin-like protein 2
著者Basak, A.J, Lee, W, Samanta, D, De, S.
登録日2019-11-03
公開日2020-10-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insights into N-terminal IgV Domain of BTNL2, a T Cell Inhibitory Molecule, Suggests a Non-canonical Binding Interface for Its Putative Receptors.
J.Mol.Biol., 432, 2020
5L36
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BU of 5l36 by Molmil
Crystal Structure of a human FasL mutant in complex with human DcR3
分子名称: SODIUM ION, Tumor necrosis factor ligand superfamily member 6, Tumor necrosis factor receptor superfamily member 6B
著者Liu, W, Bonanno, J.B, Almo, S.C.
登録日2016-08-03
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
7JNB
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BU of 7jnb by Molmil
The structure of CBM32-1 and CBM32-2 domains from Clostridium perfringens ZmpB in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, F5/8 type C domain protein, ...
著者Pluvinage, B, Boraston, A.B.
登録日2020-08-04
公開日2021-02-03
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JS4
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BU of 7js4 by Molmil
The structure of the M60 catalytic domain with the CBM51-1 and CBM51-2 domains from Clostridium perfringens ZmpB
分子名称: F5/8 type C domain protein
著者Pluvinage, B, Boraston, A.B.
登録日2020-08-13
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ZCJ
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BU of 7zcj by Molmil
Crystal structure of Pizza6-TNH-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TNH-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-03-28
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
6AKE
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BU of 6ake by Molmil
Crystal structure of mouse claudin-3 in complex with C-terminal fragment of Clostridium perfringens enterotoxin
分子名称: Claudin-3, Heat-labile enterotoxin B chain
著者Nakamura, S, Irie, K, Fujiyoshi, Y.
登録日2018-08-31
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
6H7B
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BU of 6h7b by Molmil
Structure of Leishmania PABP1 (domain J) complexed with a peptide containing the PAM2 motif of eIF4E4.
分子名称: HIS-HIS-MET-ASN-PRO-ASN-ALA-THR-GLU-PHE-MET-PRO, Polyadenylate-binding protein
著者Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G.
登録日2018-07-31
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs.
Nucleic Acids Res., 47, 2019
6MGA
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BU of 6mga by Molmil
Crystal Structure of Human Protocadherin-1 EC1-4 with glycosylation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin-1, ...
著者Modak, D, Sotomayor, M.
登録日2018-09-13
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Commun Biol, 2, 2019
6S9K
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BU of 6s9k by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 peptide containing 14-3-3 binding motif Ser139 and NLS
分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2019-07-15
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 2020
6SAD
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BU of 6sad by Molmil
Structure of 14-3-3 gamma in complex with double phosphorylated caspase-2 peptide on Ser139 and Ser164
分子名称: 14-3-3 protein gamma, Caspase-2
著者Kalabova, D, Obsil, T, Obsilova, V.
登録日2019-07-16
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 2020
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
分子名称: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者Sack, J.S, Critton, D.A.
登録日2021-11-11
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
8A2K
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BU of 8a2k by Molmil
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
8A2H
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BU of 8a2h by Molmil
human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
著者Smola, M, Vavrina, Z, Boura, E, Brynda, J.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
8A2J
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BU of 8a2j by Molmil
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
8A2I
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BU of 8a2i by Molmil
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, NICKEL (II) ION
著者Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
登録日2018-07-30
公開日2019-01-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
8A0D
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BU of 8a0d by Molmil
Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family
分子名称: Allergen lipocalin Cav p 1 isoform 1
著者Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K.
登録日2022-05-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.685 Å)
主引用文献Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
5IXD
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BU of 5ixd by Molmil
Structure of human JAK1 FERM/SH2 in complex with IFN lambda receptor
分子名称: CITRIC ACID, Interferon lambda receptor 1, Tyrosine-protein kinase JAK1
著者Ferrao, R, Wallweber, H.J.A, Lupardus, P.J.
登録日2016-03-23
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The Structural Basis for Class II Cytokine Receptor Recognition by JAK1.
Structure, 24, 2016

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