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3AD6
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BU of 3ad6 by Molmil
Crystal structure of Pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2010-01-14
Release date:2011-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AFB
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BU of 3afb by Molmil
Crystal structures of catalytic site mutants of active domain 2 of chitinase from Pyrococcus furiosus
Descriptor: GLYCEROL, MAGNESIUM ION, Putative chitinase, ...
Authors:Tsuji, H.
Deposit date:2010-02-25
Release date:2010-06-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site
Febs J., 277, 2010
3AD5
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BU of 3ad5 by Molmil
Crystal structure of Triazolone derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2010-01-14
Release date:2011-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
5YOQ
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BU of 5yoq by Molmil
Human serum albumin complexed with sodium 4-phenylbutyrate
Descriptor: 4-PHENYL-BUTANOIC ACID, PHOSPHATE ION, Serum albumin
Authors:Kawai, A, Otagiri, M.
Deposit date:2017-10-30
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure analysis of human serum albumin complexed with sodium 4-phenylbutyrate.
Biochem Biophys Rep, 13, 2018
2ZTH
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BU of 2zth by Molmil
Crystal structure of holo form of rat catechol-o-methyltransferase
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYLMETHIONINE
Authors:Tsuji, E.
Deposit date:2008-10-01
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the Apo and Holo form of rat catechol-O-methyltransferase
J.Struct.Biol., 165, 2009
2ZLB
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BU of 2zlb by Molmil
Crystal structure of APO form of rat catechol-O-methyltransferase
Descriptor: Catechol O-methyltransferase, SULFATE ION
Authors:Tsuji, E.
Deposit date:2008-04-04
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the Apo and Holo form of rat catechol-O-methyltransferase
J.Struct.Biol., 165, 2009
4TKB
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BU of 4tkb by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
2ZIS
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BU of 2zis by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and FPP
Descriptor: 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile, ACETIC ACID, FARNESYL DIPHOSPHATE, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4TJZ
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BU of 4tjz by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric acid
Descriptor: DECANOIC ACID, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-25
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TKH
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BU of 4tkh by Molmil
The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TKJ
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BU of 4tkj by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
3AC3
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BU of 3ac3 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC1
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BU of 3ac1 by Molmil
Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC5
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BU of 3ac5 by Molmil
Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC2
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BU of 3ac2 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC8
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BU of 3ac8 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-12-29
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
2ZIR
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BU of 2zir by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP
Descriptor: 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
7CU2
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BU of 7cu2 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE THAL IN COMPLEX WITH REDUCED FAD
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
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
Descriptor: TRYPTOPHAN, Tryptophan 6-halogenase
Authors:Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
2DLF
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BU of 2dlf by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF THE FV FRAGMENT FROM AN ANTI-DANSYL SWITCH VARIANT ANTIBODY IGG2A(S) CRYSTALLIZED AT PH 6.75
Descriptor: PROTEIN (ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S) (HEAVY CHAIN)), PROTEIN (ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S)-KAPPA (LIGHT CHAIN)), SULFATE ION
Authors:Nakasako, M, Takahashi, H, Shimada, I, Arata, Y.
Deposit date:1998-12-17
Release date:1999-12-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The pH-dependent structural variation of complementarity-determining region H3 in the crystal structures of the Fv fragment from an anti-dansyl monoclonal antibody.
J.Mol.Biol., 291, 1999
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
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
7C52
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BU of 7c52 by Molmil
Co-crystal structure of a photosynthetic LH1-RC in complex with electron donor HiPIP
Descriptor: (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, ...
Authors:Yu, L.-J, Wang-Otomo, Z.-Y.
Deposit date:2020-05-18
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of a photosynthetic LH1-RC in complex with its electron donor HiPIP.
Nat Commun, 12, 2021
3GEZ
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BU of 3gez by Molmil
Crystal Structure of the hypothetical egulator from Sulfolobus tokodaii 7
Descriptor: 146aa long hypothetical transcriptional regulator, CALCIUM ION
Authors:Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-02-26
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3GF2
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BU of 3gf2 by Molmil
Crystal structure of the hypothetical regulator ST1710 complexed with sodium salicylate
Descriptor: 146aa long hypothetical transcriptional regulator, 2-HYDROXYBENZOIC ACID
Authors:Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-02-26
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3GFI
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BU of 3gfi by Molmil
Crystal structure of ST1710 complexed with its promoter DNA
Descriptor: 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'
Authors:Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-02-26
Release date:2009-08-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009

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