7RV4
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8PSR
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![BU of 8psr by Molmil](/molmil-images/mine/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
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![BU of 8psy by Molmil](/molmil-images/mine/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
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![BU of 7rup by Molmil](/molmil-images/mine/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
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![BU of 8f30 by Molmil](/molmil-images/mine/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
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![BU of 8f6s by Molmil](/molmil-images/mine/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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![BU of 8f59 by Molmil](/molmil-images/mine/8f59) | |
8F2Z
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![BU of 8f2z by Molmil](/molmil-images/mine/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
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![BU of 8eph by Molmil](/molmil-images/mine/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
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![BU of 8pst by Molmil](/molmil-images/mine/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
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![BU of 7s4t by Molmil](/molmil-images/mine/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
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![BU of 8pvq by Molmil](/molmil-images/mine/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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![BU of 6v8z by Molmil](/molmil-images/mine/6v8z) | |
7S9X
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7SBE
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8Q69
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![BU of 8q69 by Molmil](/molmil-images/mine/8q69) | |
8FCC
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8FCD
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![BU of 8fcd by Molmil](/molmil-images/mine/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
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![BU of 8flp by Molmil](/molmil-images/mine/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
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![BU of 8fce by Molmil](/molmil-images/mine/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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