6MI2
 
 | | Structure of the human 4-1BB / Utomilumab Fab complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | 著者 | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | 登録日 | 2018-09-19 | | 公開日 | 2018-11-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
|
|
6MKD
 | | 4699 TCR bound to I-Ab Padi4 | | 分子名称: | 4699 TCR alpha chain, 4699 TCR beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Stadinski, B.D, Blevins, S.J, Huseby, E.S. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
|
|
6MNO
 | | 6235 TCR bound to I-Ab Padi4 | | 分子名称: | 6235 TCR alpha chain, 6235 TCR beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Stadinski, B.D, Blevins, S.J, Huseby, E.S. | | 登録日 | 2018-10-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
|
|
6MH2
 | | Structure of Herceptin Fab without antigen | | 分子名称: | Herceptin Fab arm heavy chain, Herceptin Fab arm light chain | | 著者 | Luthra, A, Langley, D.B, Christie, M, Christ, D. | | 登録日 | 2018-09-17 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Human Antibody Bispecifics through Phage Display Selection.
Biochemistry, 58, 2019
|
|
6MKR
 | | 5287 TCR bound to IAb Padi4 | | 分子名称: | 5287 TCR alpha chain, 5287 TCR beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Stadinski, B.D, Blevins, S.J, Huseby, E.S. | | 登録日 | 2018-09-26 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.355 Å) | | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
|
|
6MNN
 | | 6236 TCR bound to I-Ab Padi4 | | 分子名称: | 6236 TCR alpha chain, 6236 TCR beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | | 登録日 | 2018-10-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
|
|
6MT3
 | |
6ZRN
 | | Crystal structure of the RLIP76 Ral binding domain mutant (E427S/L429M/Q433L/K440R) in complex with RalB-GMPPNP | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | | 登録日 | 2020-07-13 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
|
|
6ZRU
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | | 分子名称: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | | 著者 | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | 登録日 | 2020-07-14 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
|
|
6MTM
 | |
7AAA
 | | Crystal structure of the catalytic domain of human PARP1 (apo) | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
|
|
6N44
 | |
6MT5
 | |
6N65
 | | KRAS G-quadruplex G16T mutant. | | 分子名称: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | | 著者 | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | | 登録日 | 2018-11-25 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
|
|
6N3F
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | | 著者 | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | | 登録日 | 2018-11-15 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
|
|
7AB2
 | | Crystal structure of MerTK kinase domain in complex with UNC2025 | | 分子名称: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | 登録日 | 2020-09-05 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
|
|
7AB1
 | | Crystal structure of MerTK kinase domain in complex with Gilteritinib | | 分子名称: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | 登録日 | 2020-09-05 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
|
|
7AAC
 | | Crystal structure of the catalytic domain of human PARP1 in complex with veliparib | | 分子名称: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
|
|
6N3E
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | | 分子名称: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | | 著者 | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | | 登録日 | 2018-11-15 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
|
|
6N3R
 | |
7AAB
 | | Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
|
|
7ACA
 | | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | | 分子名称: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... | | 著者 | Kessler, D. | | 登録日 | 2020-09-10 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
To Be Published
|
|
6NFA
 | |
7BOS
 | | Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | | 分子名称: | Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ... | | 著者 | Kudo, N, Olsen, C.A, Minoru, Y. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
|
|
6ZQT
 | | Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | | 登録日 | 2020-07-10 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
|
|
