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3GEZ
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BU of 3gez by Molmil
Crystal Structure of the hypothetical egulator from Sulfolobus tokodaii 7
分子名称: 146aa long hypothetical transcriptional regulator, CALCIUM ION
著者Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-02-26
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3GFJ
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BU of 3gfj by Molmil
Crystal structure of the ST1710 mutant (R89A) protein
分子名称: 146aa long hypothetical transcriptional regulator, CALCIUM ION
著者Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-02-27
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3GFM
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BU of 3gfm by Molmil
Crystal structure of the ST1710 mutant (K91A) protein
分子名称: 146aa long hypothetical transcriptional regulator, CALCIUM ION
著者Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-02-27
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
7CU1
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BU of 7cu1 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE (THAL) IN COMPLEX WITH FAD and AMP
分子名称: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
著者Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
登録日2020-08-20
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
3GFI
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BU of 3gfi by Molmil
Crystal structure of ST1710 complexed with its promoter DNA
分子名称: 146aa long hypothetical transcriptional regulator, 5'-D(*TP*AP*AP*CP*AP*AP*TP*AP*GP*CP*AP*AP*A)-3', 5'-D(*TP*TP*GP*CP*TP*AP*TP*TP*GP*T)-3'
著者Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-02-26
公開日2009-08-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
7C52
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BU of 7c52 by Molmil
Co-crystal structure of a photosynthetic LH1-RC in complex with electron donor HiPIP
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BACTERIOCHLOROPHYLL A, ...
著者Yu, L.-J, Wang-Otomo, Z.-Y.
登録日2020-05-18
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal structure of a photosynthetic LH1-RC in complex with its electron donor HiPIP.
Nat Commun, 12, 2021
7CU0
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BU of 7cu0 by Molmil
Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
分子名称: TRYPTOPHAN, Tryptophan 6-halogenase
著者Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
登録日2020-08-20
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
3GFL
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BU of 3gfl by Molmil
Crystal structure of the ST1710 mutant (R90A) protein
分子名称: 146aa long hypothetical transcriptional regulator, CALCIUM ION
著者Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-02-27
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3A7E
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BU of 3a7e by Molmil
Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol
分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Tsuji, E.
登録日2009-09-26
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published
1WR8
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BU of 1wr8 by Molmil
Crystal structure of hypothetical protein PH1421 from Pyrococcus horikoshii.
分子名称: ACETATE ION, Phosphoglycolate phosphatase
著者Yamamoto, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-10-13
公開日2004-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a haloacid dehalogenase superfamily phosphatase PH1421 from Pyrococcus horikoshii OT3: oligomeric state and thermoadaptation mechanism.
Acta Crystallogr.,Sect.D, 64, 2008
2WDY
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BU of 2wdy by Molmil
Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 A
分子名称: COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ...
著者Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
登録日2009-03-27
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
2ZM4
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BU of 2zm4 by Molmil
Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-11
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZM1
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BU of 2zm1 by Molmil
Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-10
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
3ASI
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BU of 3asi by Molmil
Alpha-Neurexin-1 ectodomain fragment; LNS5-EGF3-LNS6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurexin-1-alpha
著者Tanaka, H, Nogi, T, Yasui, N, Takagi, J.
登録日2010-12-13
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Variant-Specific Neuroligin-Binding by alpha-Neurexin
Plos One, 6, 2011
3AQA
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BU of 3aqa by Molmil
Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1
分子名称: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-10-27
公開日2011-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
1XJD
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BU of 1xjd by Molmil
Crystal Structure of PKC-theta complexed with Staurosporine at 2A resolution
分子名称: Protein kinase C, theta type, STAUROSPORINE
著者Xu, Z.B.
登録日2004-09-23
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic domain crystal structure of protein kinase C-theta (PKCtheta)
J.Biol.Chem., 279, 2004
2ZTI
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BU of 2zti by Molmil
Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
分子名称: MANGANESE (II) ION, NTPASE
著者Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-10-06
公開日2008-10-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
1V7R
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BU of 1v7r by Molmil
Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3
分子名称: CITRIC ACID, hypothetical protein PH1917
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-12-22
公開日2003-12-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes.
J.Mol.Biol., 375, 2008
3A7D
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BU of 3a7d by Molmil
Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor
分子名称: 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Tsuji, E.
登録日2009-09-26
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 2: Ligand Fishing using Mass Spectrometry by Detection of Ligand-Protein Non-Covalent Complex after Matrix Click Chemistry
To be Published
2ZYB
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BU of 2zyb by Molmil
Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Tsuji, E.
登録日2009-01-19
公開日2009-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2DVO
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BU of 2dvo by Molmil
Structure of PH1917 protein with the complex of ITP from Pyrococcus horikoshii
分子名称: Hypothetical protein PH1917, INOSINE 5'-TRIPHOSPHATE, SODIUM ION
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-07-31
公開日2007-09-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
2DVP
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BU of 2dvp by Molmil
Structure of NTPase from Pyroccous horikoshii
分子名称: Hypothetical protein PH1917
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-07-31
公開日2007-09-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
2DDU
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BU of 2ddu by Molmil
Crystal structure of the third repeat domain of reelin
分子名称: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Nogi, T, Yasui, N, Takagi, J.
登録日2006-02-03
公開日2006-09-26
最終更新日2011-10-05
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of a signaling-competent reelin fragment revealed by X-ray crystallography and electron tomography
Embo J., 25, 2006
3WEZ
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BU of 3wez by Molmil
Crystal structure of human beta-galactosidase in complex with NOEV
分子名称: (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Suzuki, H, Ohto, U, Shimizu, T.
登録日2013-07-16
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural basis of pharmacological chaperoning for human beta-galactosidase
to be published
3WF3
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BU of 3wf3 by Molmil
Crystal structure of human beta-galactosidase mutant I51T in complex with Galactose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
著者Suzuki, H, Ohto, U, Shimizu, T.
登録日2013-07-16
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of pharmacological chaperoning for human beta-galactosidase
to be published

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