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5CI6
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BU of 5ci6 by Molmil
Crystal structure of Arabidopsis thaliana MPK6
分子名称: Mitogen-activated protein kinase 6
著者Qin, X, Li, P, Chen, Z, Ren, D.
登録日2015-07-11
公開日2016-05-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Analysis of crystal structure of Arabidopsis MPK6 and generation of its mutants with higher activity
Sci Rep, 6, 2016
5JUR
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BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
2OA5
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BU of 2oa5 by Molmil
Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B.
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2
著者Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-14
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68.
J.Biol.Chem., 282, 2007
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
4C13
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BU of 4c13 by Molmil
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
登録日2013-08-09
公開日2013-10-02
最終更新日2021-03-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
2I4T
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BU of 2i4t by Molmil
Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A
分子名称: 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C.
登録日2006-08-22
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues.
Biochemistry, 46, 2007
2ISC
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BU of 2isc by Molmil
Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A
分子名称: (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
登録日2006-10-17
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues
Biochemistry, 46, 2007
5HGU
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BU of 5hgu by Molmil
Crystal structure of human transcription factor TEAD2 in complex with palmitate
分子名称: PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Luo, X, Xiao, H.
登録日2016-01-08
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Autopalmitoylation of TEAD proteins regulates transcriptional output of the Hippo pathway.
Nat.Chem.Biol., 12, 2016
2LWF
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BU of 2lwf by Molmil
Structure of N-terminal domain of a plant Grx
分子名称: Monothiol glutaredoxin-S16, chloroplastic
著者Feng, Y.
登録日2012-07-28
公開日2013-05-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into the N-terminal GIY-YIG endonuclease activity of Arabidopsis glutaredoxin AtGRXS16 in chloroplasts.
Proc.Natl.Acad.Sci.USA, 110, 2013
3LT3
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BU of 3lt3 by Molmil
Crystal structure of Rv3671c from M. tuberculosis H37Rv, Ser343Ala mutant, inactive form
分子名称: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
著者Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
登録日2010-02-14
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
3J3W
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BU of 3j3w by Molmil
Atomic model of the immature 50S subunit from Bacillus subtilis (state II-a)
分子名称: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
著者Li, N, Guo, Q, Zhang, Y, Yuan, Y, Ma, C, Lei, J, Gao, N.
登録日2013-04-28
公開日2013-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (10.7 Å)
主引用文献Cryo-EM structures of the late-stage assembly intermediates of the bacterial 50S ribosomal subunit
Nucleic Acids Res., 41, 2013
3K6Y
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BU of 3k6y by Molmil
Crystal structure of Rv3671c protease from M. tuberculosis, active form
分子名称: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
著者Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
登録日2009-10-10
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
3J3V
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BU of 3j3v by Molmil
Atomic model of the immature 50S subunit from Bacillus subtilis (state I-a)
分子名称: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
著者Li, N, Guo, Q, Zhang, Y, Yuan, Y, Ma, C, Lei, J, Gao, N.
登録日2013-04-28
公開日2013-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (13.3 Å)
主引用文献Cryo-EM structures of the late-stage assembly intermediates of the bacterial 50S ribosomal subunit
Nucleic Acids Res., 41, 2013
3U96
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BU of 3u96 by Molmil
Crystal Structure of YopHQ357F(Catalytic Domain, Residues 163-468) in complex with pNCS
分子名称: N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM, SULFATE ION, Tyrosine-protein phosphatase yopH
著者Ho, M.C, Ke, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of catalytic loop structure, dynamics, and function relationship of Yersinia protein tyrosine phosphatase by temperature-jump relaxation spectroscopy and X-ray structural determination.
J.Phys.Chem.B, 116, 2012
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Li, X.
登録日2017-09-23
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
4Z0V
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BU of 4z0v by Molmil
The structure of human PDE12 residues 161-609
分子名称: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-26
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
分子名称: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2014-02-27
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
7EPM
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BU of 7epm by Molmil
human LDHC complexed with NAD+ and ethylamino acetic acid
分子名称: 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yu, Y, Chen, Q.
登録日2021-04-27
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
3K6Z
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BU of 3k6z by Molmil
Crystal structure of Rv3671c protease, inactive form
分子名称: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
著者Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
登録日2009-10-10
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
4GIW
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BU of 4giw by Molmil
Crystal structure of the RUN domain of human NESCA
分子名称: RUN and SH3 domain-containing protein 1
著者Bai, L, Sun, Q, Jiang, T.
登録日2012-08-09
公開日2012-08-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and functional implication of the RUN domain of human NESCA
Protein Cell, 3, 2012
5HZG
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BU of 5hzg by Molmil
The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex
分子名称: (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ...
著者Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
登録日2016-02-02
公開日2016-08-03
最終更新日2016-08-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016

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