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5LCJ
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In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
著者O'Reilly, M, Wright, D.
登録日2016-06-22
公開日2016-07-20
最終更新日2016-08-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
5LNU
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BU of 5lnu by Molmil
Crystal structure of Arabidopsis thaliana Pdx1-I320 complex
分子名称: (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
著者Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I.
登録日2016-08-06
公開日2017-01-18
最終更新日2017-02-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
5F2E
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Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C
分子名称: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ...
著者Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y.
登録日2015-12-01
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
5LNV
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Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals
分子名称: (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
著者Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I.
登録日2016-08-06
公開日2017-01-18
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
5FF5
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BU of 5ff5 by Molmil
Crystal Structure of SeMet PaaA
分子名称: GLYCEROL, NICKEL (II) ION, PaaA, ...
著者Biernat, K.B, Redinbo, M.R.
登録日2015-12-17
公開日2016-04-27
最終更新日2016-05-18
実験手法X-RAY DIFFRACTION (2.933 Å)
主引用文献Post-translational Claisen Condensation and Decarboxylation en Route to the Bicyclic Core of Pantocin A.
J.Am.Chem.Soc., 138, 2016
5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
分子名称: 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ...
著者Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A.
登録日2016-10-12
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
5ESU
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Crystal Structure of M. tuberculosis MenD bound to Mg2+ and Covalent Intermediate II (a ThDP + de-carboxylated 2-oxoglutarate + Isochorismate adduct)
分子名称: (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, BETA-MERCAPTOETHANOL, ...
著者Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N.
登録日2015-11-17
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
5MRL
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BU of 5mrl by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA)
分子名称: (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J.
登録日2016-12-23
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine.
ACS Chem Neurosci, 8, 2017
5MMX
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ABA RECEPTOR FROM CITRUS, CSPYL1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA
著者Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M.
登録日2016-12-12
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5FMG
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BU of 5fmg by Molmil
Structure and function based design of Plasmodium-selective proteasome inhibitors
分子名称: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ...
著者Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M.
登録日2015-11-04
公開日2016-03-02
最終更新日2017-08-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
5MN0
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BU of 5mn0 by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CHLORIDE ION, CSPYL1, ...
著者Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A.
登録日2016-12-12
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5ECI
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BU of 5eci by Molmil
Crystal Structure of FIN219-FIP1 complex with JA, ATP and Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MXW
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BU of 5mxw by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin.
分子名称: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-25
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
5LNW
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BU of 5lnw by Molmil
Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex
分子名称: 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
著者Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I.
登録日2016-08-06
公開日2017-01-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
5GWO
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BU of 5gwo by Molmil
Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S, Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.816 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5ECK
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BU of 5eck by Molmil
Crystal Structure of FIN219-FIP1 complex with JA, Ile and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5ECL
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Crystal Structure of FIN219-FIP1 complex with JA, Ile and Mg
分子名称: GLUTATHIONE, Glutathione S-transferase U20, ISOLEUCINE, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MOB
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BU of 5mob by Molmil
ABA RECEPTOR FROM TOMATO, SlPYL1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA
著者Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A.
登録日2016-12-14
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.669 Å)
主引用文献Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5E41
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Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentenyl)-2'-deoxyuridine-triphosphate
分子名称: 2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
著者Hottin, A, Betz, K, Marx, A.
登録日2015-10-05
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the KlenTaq DNA Polymerase Catalysed Incorporation of Alkene- versus Alkyne-Modified Nucleotides.
Chemistry, 23, 2017
5E7D
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BU of 5e7d by Molmil
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
分子名称: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-10-12
公開日2016-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
To Be Published
5ECN
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BU of 5ecn by Molmil
Crystal Structure of FIN219-FIP1 complex with JA, Leu and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
5GZZ
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Crystal Structure of FIN219-SjGST complex with JA
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, Jasmonic acid-amido synthetase JAR1, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2016-10-02
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.386 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GWP
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Crystal structure of RCAR3:PP2C wild-type with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S, Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.577 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
8BS9
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BU of 8bs9 by Molmil
Structure of USP36 in complex with Ubiquitin-PA
分子名称: Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ...
著者O'Dea, R, Gersch, M.
登録日2022-11-24
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023

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