7M4T
 
 | | Menin bound to M-1121 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J. | | Deposit date: | 2021-03-22 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
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4WXM
 | | FleQ REC domain from Pseudomonas aeruginosa PAO1 | | Descriptor: | Transcriptional regulator FleQ | | Authors: | Su, T, Liu, S, Gu, L. | | Deposit date: | 2014-11-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
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6E1A
 | | Menin bound to M-89 | | Descriptor: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2018-07-09 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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7R7Z
 | | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | | Descriptor: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | | Authors: | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.286 Å) | | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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6IYF
 | | Structure of pSTING complex | | Descriptor: | (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, SULFATE ION, Stimulator of interferon genes protein | | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | Deposit date: | 2018-12-15 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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6J6F
 | | Ligand binding domain 1 and 2 of Talaromyces marneffei Mp1 protein | | Descriptor: | Envelope glycoprotein, NICKEL (II) ION | | Authors: | Lam, W.H, Zhang, H, Hao, Q. | | Deposit date: | 2019-01-15 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Talaromyces marneffeiMp1 Protein, a Novel Virulence Factor, Carries Two Arachidonic Acid-Binding Domains To Suppress Inflammatory Responses in Hosts.
Infect. Immun., 87, 2019
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5T03
 | | Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | Authors: | Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
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5T0A
 | | Crystal Structure of Heparan Sulfate 6-O-Sulfotransferase with bound PAP and heptasaccharide substrate | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | Authors: | Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
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5T05
 | | Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | Authors: | Pedersen, L.C, Moon, A.F, krahn, J.M, Liu, J. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
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6UKM
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | | Descriptor: | 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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKU
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | | Descriptor: | 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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UL0
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | | Descriptor: | 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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKV
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | | Descriptor: | 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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKY
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | | Descriptor: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKX
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | | Descriptor: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKZ
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | | Descriptor: | 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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKW
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10 | | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-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 | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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4Y2W
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4DOY
 | | Crystal structure of Dibenzothiophene desulfurization enzyme C | | Descriptor: | Dibenzothiophene desulfurization enzyme C, GLYCEROL | | Authors: | Liu, S, Zhang, C, Zhu, D, Gu, L. | | Deposit date: | 2012-02-12 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
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6YKF
 | | VcaM4I restriction endonuclease in the presence of 5mC-modified ssDNA | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*AP*(5CM)P*AP*G)-3'), GLYCEROL, ... | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-04-06 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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6YEX
 | | VcaM4I restriction endonuclease in the absence of DNA | | Descriptor: | CHLORIDE ION, HNH endonuclease, SULFATE ION | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-03-25 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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6YMG
 | | VcaM4I restriction endonuclease in complex with 5mC-modified dsDNA | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(P*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-04-08 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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6YJB
 | | VcaM4I restriction endonuclease 5hmC-ssDNA complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*AP*(5HC)P*AP*G)-3'), GLYCEROL, ... | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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6OC0
 | | Crystal structure of human DHODH with OSU-03012 | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Durst, M.A, Lavie, A. | | Deposit date: | 2019-03-21 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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6OC1
 | | Crystal structure of human DHODH with TAK-632 | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Durst, M.A, Lavie, A. | | Deposit date: | 2019-03-21 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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