8CY2
 
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Zhou, J, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CY0
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178) | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CXY
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Zhou, J, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CY5
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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7WN0
 | | Structure of PfENT1(Y190A) in complex with nanobody 19 | | Descriptor: | Equilibrative nucleoside/nucleobase transporter, nanobody19 | | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | | Deposit date: | 2022-01-17 | | Release date: | 2023-02-01 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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7WN1
 | | Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | | Descriptor: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | | Deposit date: | 2022-01-17 | | Release date: | 2023-02-01 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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7YDQ
 | | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | | Descriptor: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | | Authors: | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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7RFN
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158 | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7RFL
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7RFK
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7RFM
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777 | | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7SFD
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A | | Descriptor: | (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFF
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFC
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A | | Descriptor: | 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFG
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFE
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7Y5Q
 | | Structure of 1:1 PAPP-A.STC2 complex(half map) | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | | Deposit date: | 2022-06-17 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
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7Y5N
 | | Structure of 1:1 PAPP-A.ProMBP complex(half map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | | Deposit date: | 2022-06-17 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
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8HNM
 | | CXCR3-DNGi complex activated by VUF11222 | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNN
 | | Structure of CXCR3 complexed with antagonist SCH546738 | | Descriptor: | 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide, CHOLESTEROL, Nb6, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNK
 | | CXCR3-DNGi complex activated by CXCL11 | | Descriptor: | C-X-C motif chemokine 11, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNL
 | | CXCR3-DNGi complex activated by PS372424 | | Descriptor: | (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8K2W
 | | Structure of CXCR3 complexed with antagonist AMG487 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487.
Cell Discov, 9, 2023
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8K2X
 | | CXCR3-DNGi complex activated by CXCL10 | | Descriptor: | C-X-C motif chemokine 10, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487.
Cell Discov, 9, 2023
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5J70
 | | The Chd1 DNA-binding domain in complex with 17mer DNA duplex | | Descriptor: | Chromo domain-containing protein 1, DNA (5'-D(*CP*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*CP*G)-3') | | Authors: | Bowman, G.D, Jenkins, K.R, Hauk, G. | | Deposit date: | 2016-04-05 | | Release date: | 2017-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.956 Å) | | Cite: | Chd1 domains communicate across the DNA gyres of the nucleosome
To Be Published
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