7RV4
 
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8PSR
 | | ERK2 covalently bound to SynthRevD-12-opt artificial peptide | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Sok, P, Poti, A, Gogl, G, Remenyi, A. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PSY
 | | ERK2 covelently bound to RU68 cyclohexenone based inhibitor | | 分子名称: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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7RUP
 | | Structure of the human GIGYF2-TNRC6A complex | | 分子名称: | GRB10-interacting GYF protein 2, SULFATE ION, Trinucleotide repeat-containing gene 6A protein | | 著者 | Sobti, M, Mead, B.J, Igreja, C, Stewart, A.G, Christie, M. | | 登録日 | 2021-08-18 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Molecular basis for GIGYF-TNRC6 complex assembly.
Rna, 29, 2023
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8BZU
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8F30
 | | LSD1-CoREST in complex with AW2, long soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-09 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8F6S
 | | LSD1-CoREST in complex with T105 | | 分子名称: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8PT5
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8F59
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8F2Z
 | | LSD1-CoREST in complex with AW2, short soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-09 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8EPK
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8EPH
 | | Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA | | 分子名称: | CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ... | | 著者 | Kolyadko, V.N, Krishnaswamy, S. | | 登録日 | 2022-10-05 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8FSL
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8PST
 | | ERK2 covelently bound to RU60 cyclohexenone based inhibitor | | 分子名称: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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7S4T
 | | Crystal structure of CDK2 liganded with compound EF2252 | | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | | 著者 | Sun, L, Schonbrunn, E. | | 登録日 | 2021-09-09 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
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8PVQ
 | | Crystal Structure of Human PTX3 C-terminal domain | | 分子名称: | Pentraxin-related protein PTX3 | | 著者 | Levy, C.W. | | 登録日 | 2023-07-18 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Pentraxin 3 mediated crosslinking of heavy chain hyaluronan complexes: new insights from structural and biophysical studies
To Be Published
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6V8Z
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7S9X
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7SBE
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8Q69
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8FCC
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8FCD
 | | HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI | | 分子名称: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2022-12-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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8FLP
 | | NMR Solution Structure of LvIC analogue | | 分子名称: | Alpha-conotoxin LvIC analogue | | 著者 | Harvey, P.J, Craik, D.J. | | 登録日 | 2022-12-22 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-02-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery, Characterization, and Engineering of LvIC, an alpha 4/4-Conotoxin That Selectively Blocks Rat alpha 6/ alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 66, 2023
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8FIS
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8FCE
 | | HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI | | 分子名称: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2022-12-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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