6SMA
 
 | | Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ... | | 著者 | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | 登録日 | 2019-08-21 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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3KKX
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6SOM
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6SOQ
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6GAR
 | | Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) from Bacillus cereus | | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | 著者 | Skramo, S, Gudim, I, Hersleth, H.-P. | | 登録日 | 2018-04-12 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Characterization of Different Flavodoxin Reductase-Flavodoxin (FNR-Fld) Interactions Reveals an Efficient FNR-Fld Redox Pair and Identifies a Novel FNR Subclass.
Biochemistry, 57, 2018
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6FMU
 | | Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol | | 分子名称: | 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | 著者 | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | 登録日 | 2018-02-02 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FNS
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8OUA
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-22 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU4
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-21 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU6
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-21 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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6SYS
 | | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | | 分子名称: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2019-10-01 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
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8OU3
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | | 著者 | Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D. | | 登録日 | 2023-04-21 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU5
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-21 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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3KR8
 | | Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939 | | 分子名称: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ... | | 著者 | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-11-18 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
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7V0S
 | | Local refinement of RhAG/CE trimer, class 1 of erythrocyte ankyrin-1 complex | | 分子名称: | Ammonium transporter Rh type A, Ankyrin-1, Blood group Rh(CE) polypeptide, ... | | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | 登録日 | 2022-05-10 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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8OU7
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11d | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide, Cereblon isoform 4, ZINC ION | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-22 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU9
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11e | | 分子名称: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide, Cereblon isoform 4, ZINC ION | | 著者 | Heim, C, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-04-22 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8VF8
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFH
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dC | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFA
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFJ
 | | Polymerase Beta Host Guest Complex Containing FapydG base paired with TMP | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFB
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFE
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a T | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VF9
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFC
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal T base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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