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5FBO
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BU of 5fbo by Molmil
BTK-inhibitor co-structure
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2015-12-14
公開日2016-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
5FBN
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BU of 5fbn by Molmil
BTK kinase domain with inhibitor 1
分子名称: 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Raaijmakers, H.C.A, Vu-Pham, D.
登録日2015-12-14
公開日2016-02-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
5GV2
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BU of 5gv2 by Molmil
Crystal structure of Arginine-bound CASTOR1 from Homo sapiens
分子名称: ARGININE, GATS-like protein 3, MAGNESIUM ION
著者Gai, Z.C, Wu, G.
登録日2016-09-01
公開日2017-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural mechanism for the arginine sensing and regulation of CASTOR1 in the mTORC1 signaling pathway
Cell Discov, 2, 2016
4HRV
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BU of 4hrv by Molmil
Crystal Structure of Lipoprotein GNA1162 from Neisseria meningitidis
分子名称: Putative lipoprotein GNA1162
著者Lin, Z, Cai, X, Shen, Y.
登録日2012-10-28
公開日2013-04-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure of Neisseria meningitidis lipoprotein GNA1162
Acta Crystallogr.,Sect.F, 69, 2013
4J4L
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BU of 4j4l by Molmil
Modular evolution and design of the protein binding interface
分子名称: Interleukin-6, Internalin B,REPEAT MODULES,Variable lymphocyte receptor B
著者Cheong, H.K, Kim, H.J.
登録日2013-02-07
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modular evolution and design of the protein binding interface
To be Published
6KXH
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BU of 6kxh by Molmil
Alp1U_Y247F mutant in complex with Fluostatin C
分子名称: D-MALATE, Fluostatin C, Putative hydrolase, ...
著者Zhang, L, Yingli, Z, De, B.C, Zhang, C.
登録日2019-09-11
公開日2020-09-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78039551 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
6KXR
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BU of 6kxr by Molmil
Crystal structure of wild type Alp1U from the biosynthesis of kinamycins
分子名称: D-MALATE, Putative hydrolase
著者Zhang, L, Yingli, Z, De, B.C, Zhang, C.
登録日2019-09-12
公開日2020-09-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45073676 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
4JS0
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BU of 4js0 by Molmil
Complex of Cdc42 with the CRIB-PR domain of IRSp53
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, Cell division control protein 42 homolog, ...
著者Kast, D.J, Dominguez, R.
登録日2013-03-22
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of IRSp53 inhibition and combinatorial activation by Cdc42 and downstream effectors.
Nat.Struct.Mol.Biol., 21, 2014
4K17
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BU of 4k17 by Molmil
Crystal Structure of mouse CARMIL residues 1-668
分子名称: CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, Leucine-rich repeat-containing protein 16A, ...
著者Zwolak, A, Dominguez, R.
登録日2013-04-04
公開日2013-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献CARMIL leading edge localization depends on a non-canonical PH domain and dimerization.
Nat Commun, 4, 2013
3BYV
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BU of 3byv by Molmil
Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Rhoptry kinase
著者Wernimont, A.K, Lunin, V.V, Yang, C, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Sibley, D, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-01-16
公開日2008-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
7BZV
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BU of 7bzv by Molmil
Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3
分子名称: 2-aminomuconic 6-semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shi, Q.L, Chen, Y.J, Su, D.
登録日2020-04-28
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献The tetrameric assembly of 2-aminomuconic 6-semialdehyde dehydrogenase is a functional requirement of cofactor NAD + binding.
Environ.Microbiol., 2021
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
分子名称: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
著者Deng, X, Li, X, Dong, J, Chen, Y.
登録日2014-04-10
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
5WUF
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BU of 5wuf by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: CADMIUM ION, Putative membrane protein
著者Mao, Y, Gao, F, Su, M, Wang, X.H, Zeng, Y, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-08-09
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUC
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BU of 5wuc by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SODIUM ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-07-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUD
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BU of 5wud by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: MAGNESIUM ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SULFATE ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WYG
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BU of 5wyg by Molmil
The crystal structure of the apo form of Mtb MazF
分子名称: Probable endoribonuclease MazF7
著者Xie, W, Chen, R, Tu, J.
登録日2017-01-13
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.356 Å)
主引用文献Structure of the MazF-mt9 toxin, a tRNA-specific endonuclease from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 486, 2017
5XK0
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BU of 5xk0 by Molmil
Structure of 8-mer DNA2
分子名称: DNA (5'-D(*GP*CP*CP*CP*GP*AP*GP*C)-3')
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
5XK1
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BU of 5xk1 by Molmil
Structure of 8-mer DNA3
分子名称: DNA (5'-D(*GP*GP*AP*GP*CP*CP*CP*C)-3')
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs.
Angew. Chem. Int. Ed. Engl., 56, 2017
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
5XM2
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BU of 5xm2 by Molmil
Human N-terminal domain of FACT complex subunit SPT16
分子名称: DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL
著者Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D.
登録日2017-05-12
公開日2018-05-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
5ZFZ
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BU of 5zfz by Molmil
Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5ZFW
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BU of 5zfw by Molmil
Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5ZFY
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BU of 5zfy by Molmil
Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018

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