8BA4
 
 | | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | | 分子名称: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA3
 | | Crystal structure of JAK2 JH2 in complex with Bemcentinib | | 分子名称: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B99
 | | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-05 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B8U
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8B9H
 | | Crystal structure of JAK2 JH2 in complex with Z902-A3 | | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-06 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B9E
 | | Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 | | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-05 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BAK
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8BAB
 | | Crystal structure of JAK2 JH2-V617F in complex with CB76 | | 分子名称: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B8N
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8BA2
 | | Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 | | 分子名称: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8WRZ
 | | Cry-EM structure of cannabinoid receptor-arrestin 2 complex | | 分子名称: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | | 著者 | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | | 登録日 | 2023-10-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
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4WD5
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6QPL
 | | Crystal structure of Spindlin1 in complex with the inhibitor MS31 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-02-14 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
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6S4A
 | | Structure of human MTHFD2 in complex with TH9028 | | 分子名称: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | 著者 | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | 登録日 | 2019-06-27 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | 分子名称: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | 著者 | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | 登録日 | 2019-06-27 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4E
 | | Structure of human MTHFD2 in complex with TH7299 | | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | 登録日 | 2019-06-27 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6OIE
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1L0Q
 | | Tandem YVTN beta-propeller and PKD domains from an archaeal surface layer protein | | 分子名称: | Surface layer protein | | 著者 | Jing, H, Takagi, J, Liu, J.-H, Lindgren, S, Zhang, R.-G, Joachimiak, A, Wang, J.-H, Springer, T.A. | | 登録日 | 2002-02-12 | | 公開日 | 2002-11-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Archaeal Surface Layer Proteins Contain beta Propeller, PKD, and beta Helix Domains and Are Related to Metazoan Cell Surface Proteins.
Structure, 10, 2002
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8IMF
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8IME
 | | Human cGAS catalytic domain bound with baicalin | | 分子名称: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xu, Y.C. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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8IMG
 | | Human cGAS catalytic domain bound with C20 | | 分子名称: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Li, J.M, Xu, Y.C. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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5LG9
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8WUY
 | | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | | 分子名称: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | 著者 | Hong, W.B, Chen, X.Q, Lin, T.W. | | 登録日 | 2023-10-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
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5GZR
 | | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | | 分子名称: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | | 著者 | Gao, G.G, Shi, Y, Peng, R, Liu, S. | | 登録日 | 2016-10-01 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | | 主引用文献 | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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8Y6U
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