6FU6
 
 | | Phosphotriesterase PTE_C23_2 | | 分子名称: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | | 著者 | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | 登録日 | 2018-02-26 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Phosphotriesterase
PTE_A53_4
To Be Published
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6G3M
 | | Phosphotriesterase PTE_C23M_4 | | 分子名称: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | 登録日 | 2018-03-26 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | | 主引用文献 | Phosphotriesterase
PTE_C23M_4
To Be Published
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6GBJ
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | | 著者 | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | 登録日 | 2018-04-15 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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6GBK
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | | 著者 | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | 登録日 | 2018-04-15 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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4GI7
 | | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue | | 分子名称: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | | 著者 | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | | 登録日 | 2012-08-08 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
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3O71
 | | Crystal structure of ERK2/DCC peptide complex | | 分子名称: | Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION | | 著者 | Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J. | | 登録日 | 2010-07-30 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
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5YPO
 | | Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide | | 分子名称: | Disks large homolog 4, GLYCEROL, SAPAP | | 著者 | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M. | | 登録日 | 2017-11-02 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
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5YPR
 | | Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor | | 分子名称: | Disks large homolog 4, Synthesized GK inhibitor | | 著者 | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M. | | 登録日 | 2017-11-02 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | | 主引用文献 | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
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5F67
 | | An exquisitely specific PDZ/target recognition revealed by the structure of INAD PDZ3 in complex with TRP channel tail | | 分子名称: | Inactivation-no-after-potential D protein, TRP C terminal Tail | | 著者 | Ye, F, Shang, Y, Liu, W, Zhang, M. | | 登録日 | 2015-12-05 | | 公開日 | 2016-02-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | An Exquisitely Specific PDZ/Target Recognition Revealed by the Structure of INAD PDZ3 in Complex with TRP Channel Tail
Structure, 24, 2016
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4JHR
 | | An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs | | 分子名称: | G-protein-signaling modulator 2 | | 著者 | Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M. | | 登録日 | 2013-03-05 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Structure, 21, 2013
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5HQ3
 | | Stable, high-expression variant of human acetylcholinesterase | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP | | 著者 | Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J. | | 登録日 | 2016-01-21 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
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5EAP
 | | Crystal structure of human WDR5 in complex with compound 9e | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-10-16 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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5EAR
 | | Crystal structure of human WDR5 in complex with compound 9d | | 分子名称: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-10-16 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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3SMR
 | | Crystal structure of human WD repeat domain 5 with compound | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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3RO3
 | | crystal structure of LGN/mInscuteable complex | | 分子名称: | CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ... | | 著者 | Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M. | | 登録日 | 2011-04-25 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
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3SMS
 | | Human Pantothenate kinase 3 in complex with a pantothenate analog | | 分子名称: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ... | | 著者 | Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-07-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Human Pantothenate kinase 3 in complex with a pantothenate analog
to be published
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3SMQ
 | | Crystal structure of protein arginine methyltransferase 3 | | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | | 著者 | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
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3UR4
 | | Crystal structure of human WD repeat domain 5 with compound | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | 著者 | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-11-21 | | 公開日 | 2011-12-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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5YBE
 | | Structure of KANK1/KIF21A complex | | 分子名称: | 1,2-ETHANEDIOL, KIF21A, Kank1 protein | | 著者 | Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G. | | 登録日 | 2017-09-04 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.111 Å) | | 主引用文献 | Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex.
J. Biol. Chem., 293, 2018
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6LIG
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4U9A
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4HE0
 | | Crystal structure of human muscle fructose-1,6-bisphosphatase | | 分子名称: | CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, MAGNESIUM ION, ... | | 著者 | Shi, R, Zhu, D.W, Lin, S.X. | | 登録日 | 2012-10-03 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
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7KDC
 | | The complex between RhoD and the Plexin B2 RBD | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B2, ... | | 著者 | Kuo, Y, Wang, Y, Zhang, x. | | 登録日 | 2020-10-08 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | A putative structural mechanism underlying the antithetic effect of homologous RND1 and RhoD GTPases in mammalian plexin regulation.
Elife, 10, 2021
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6OP9
 | | HER3 pseudokinase domain bound to bosutinib | | 分子名称: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3 | | 著者 | Littlefield, P, Agnew, C, Jura, N. | | 登録日 | 2019-04-24 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers.
Cell Rep, 38, 2022
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6O1S
 | | Structure of human plasma kallikrein protease domain with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | | 著者 | Partridge, J.R, Choy, R.M. | | 登録日 | 2019-02-21 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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