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3ZHP
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BU of 3zhp by Molmil
Human MST3 (STK24) in complex with MO25beta
分子名称: CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION
著者Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2012-12-24
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
4KYO
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BU of 4kyo by Molmil
Alanine-glyoxylate aminotransferase variant K390A in complex with the TPR domain of human Pex5p
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, ...
著者Fodor, K, Lou, Y, Wilmanns, M.
登録日2013-05-29
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes.
Traffic, 16, 2015
4KXK
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BU of 4kxk by Molmil
Alanine-glyoxylate aminotransferase variant K390A/K391A in complex with the TPR domain of human Pex5p
分子名称: BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, SULFATE ION, ...
著者Fodor, K, Lou, Y, Wilmanns, M.
登録日2013-05-27
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes.
Traffic, 16, 2015
1S12
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BU of 1s12 by Molmil
Crystal structure of TM1457
分子名称: ACETATE ION, hypothetical protein TM1457
著者Shin, D.H, Lou, Y, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-01-05
公開日2004-12-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of TM1457 from Thermotoga maritima.
J.Struct.Biol., 152, 2005
1U0L
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BU of 1u0l by Molmil
Crystal structure of YjeQ from Thermotoga maritima
分子名称: GUANOSINE-5'-DIPHOSPHATE, Probable GTPase engC, ZINC ION
著者Shin, D.H, Lou, Y, Jaru, J, Kim, R, Yokota, H, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2004-07-13
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of YjeQ from Thermotoga maritima contains a circularly permuted GTPase domain
Proc.Natl.Acad.Sci.Usa, 101, 2004
1XCO
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BU of 1xco by Molmil
Crystal Structure of a Phosphotransacetylase from Bacillus subtilis in complex with acetylphosphate
分子名称: ACETYLPHOSPHATE, Phosphate acetyltransferase, SULFATE ION
著者Xu, Q.S, Jancarik, J, Lou, Y, Yokota, H, Adams, P, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-09-02
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate
J.STRUCT.FUNCT.GENOM., 6, 2005
1SUW
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BU of 1suw by Molmil
Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with its substrate and product: Insights into the catalysis of NAD kinase
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase
著者Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-03-26
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP
J.Mol.Biol., 354, 2005
1Z0U
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BU of 1z0u by Molmil
Crystal structure of a NAD kinase from Archaeoglobus fulgidus bound by NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase, SULFATE ION
著者Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2005-03-02
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP
J.Mol.Biol., 354, 2005
1SUM
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BU of 1sum by Molmil
Crystal structure of a hypothetical protein at 2.0 A resolution
分子名称: CALCIUM ION, FE (III) ION, NICKEL (II) ION, ...
著者Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2004-03-26
公開日2004-08-24
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a PhoU protein homologue: a new class of metalloprotein containing multinuclear iron clusters.
J.Biol.Chem., 280, 2005
1Z0Z
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BU of 1z0z by Molmil
Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable inorganic polyphosphate/ATP-NAD kinase
著者Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2005-03-02
公開日2005-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP
J.Mol.Biol., 354, 2005
1Z0S
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BU of 1z0s by Molmil
Crystal structure of an NAD kinase from Archaeoglobus fulgidus in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2005-03-02
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP
J.Mol.Biol., 354, 2005
7OKW
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BU of 7okw by Molmil
1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y.
登録日2021-05-18
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
7O86
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BU of 7o86 by Molmil
1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK
分子名称: CALCIUM ION, MAGNESIUM ION, SODIUM ION, ...
著者Elvers, K.T, Bax, B.D, Lipka-Lloyd, M, Mehellou, Y.
登録日2021-04-14
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
1M39
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BU of 1m39 by Molmil
Solution structure of the C-terminal fragment (F86-I165) of the human centrin 2 in calcium saturated form
分子名称: Caltractin, isoform 1
著者Matei, E, Miron, S, Blouquit, Y, Duchambon, P, Durussel, P, Cox, J.A, Craescu, C.T.
登録日2002-06-27
公開日2003-03-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献C-terminal half of human centrin 2 behaves like a regulatory EF-hand domain
Biochemistry, 42, 2003
3KF9
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BU of 3kf9 by Molmil
Crystal structure of the SdCen/skMLCK complex
分子名称: CALCIUM ION, Caltractin, Myosin light chain kinase 2, ...
著者Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T.
登録日2009-10-27
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural features of the complexes formed by Scherffelia dubia centrin
To be Published
2K2I
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BU of 2k2i by Molmil
NMR Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a repeat sequence of human Sfi1 (R641-T660)
分子名称: Centrin-2, SFI1 peptide
著者Martinez-Sanz, J, Assairi, L, Blouquit, Y, Duchambon, P, Mouawad, L, Craescu, C.
登録日2008-04-02
公開日2009-02-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex
J.Mol.Biol., 395, 2010
1ZMZ
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BU of 1zmz by Molmil
Solution structure of the N-terminal domain (M1-S98) of human centrin 2
分子名称: Centrin-2
著者Yang, A, Miron, S, Duchambon, P, Assairi, L, Blouquit, Y, Craescu, C.T.
登録日2005-05-11
公開日2006-04-25
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The N-terminal domain of human centrin 2 has a closed structure, binds calcium with a very low affinity, and plays a role in the protein self-assembly
Biochemistry, 45, 2006
2A4J
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BU of 2a4j by Molmil
Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a 17 residues peptide (P1-XPC) from xeroderma pigmentosum group C protein
分子名称: 17-mer peptide P1-XPC from DNA-repair protein complementing XP-C cells, Centrin 2
著者Yang, A, Miron, S, Mouawad, L, Duchambon, P, Blouquit, Y, Craescu, C.T.
登録日2005-06-29
公開日2005-07-12
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair.
Biochemistry, 45, 2006
2K9N
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BU of 2k9n by Molmil
Solution NMR structure of the R2R3 DNA binding domain of Myb1 protein from protozoan parasite Trichomonas vaginalis
分子名称: MYB24
著者Lou, Y, Wei, S, Rajasekaran, M, Chou, C, Hsu, H, Tai, J, Chen, C.
登録日2008-10-19
公開日2009-03-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR structural analysis of DNA recognition by a novel Myb1 DNA-binding domain in the protozoan parasite Trichomonas vaginalis.
Nucleic Acids Res., 37, 2009
4OTQ
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BU of 4otq by Molmil
Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea
分子名称: 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4OT5
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BU of 4ot5 by Molmil
Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide
分子名称: 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4OTR
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BU of 4otr by Molmil
Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one
分子名称: 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4RG0
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BU of 4rg0 by Molmil
Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile
分子名称: 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-09-29
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
4OT6
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BU of 4ot6 by Molmil
Crystal structure of BTK kinase domain complexed with 4-Methanesulfonyl-N-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide
分子名称: 4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4RFZ
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BU of 4rfz by Molmil
Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one
分子名称: 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-09-29
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015

 

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