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2ZE0
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Alpha-glucosidase GSJ
分子名称: Alpha-glucosidase, CALCIUM ION
著者Shirai, T, Hung, V.S, Morinaka, K, Kobayashi, T, Ito, S.
登録日2007-12-04
公開日2007-12-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of GH13 alpha-glucosidase GSJ from one of the deepest sea bacteria
Proteins, 73, 2008
5YFI
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BU of 5yfi by Molmil
Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment
分子名称: Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-21
公開日2018-12-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YHL
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Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YWY
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Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208
分子名称: 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-11-30
公開日2018-12-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5ZFS
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Crystal structure of Arthrobacter globiformis M30 sugar epimerase which can produce D-allulose from D-fructose
分子名称: ACETATE ION, D-allulose-3-epimerase, MANGANESE (II) ION
著者Yoshida, H, Yoshihara, A, Gullapalli, P.K, Ohtani, K, Akimitsu, K, Izumori, K, Kamitori, S.
登録日2018-03-07
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献X-ray structure of Arthrobacter globiformis M30 ketose 3-epimerase for the production of D-allulose from D-fructose.
Acta Crystallogr F Struct Biol Commun, 74, 2018
2ZVT
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BU of 2zvt by Molmil
Cys285Ser mutant PPARgamma ligand-binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2
分子名称: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Oyama, T, Shiraki, T, Morikawa, K.
登録日2008-11-19
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Atomic structure of mutant PPARgamma LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARgamma/RXRalpha function by covalently bound ligands
Febs Lett., 583, 2009
3AN3
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BU of 3an3 by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S
分子名称: (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN4
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Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R
分子名称: (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3VSO
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BU of 3vso by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21
分子名称: (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
登録日2012-04-30
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
3VH5
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Crystal structure of the chicken CENP-T histone fold/CENP-W/CENP-S/CENP-X heterotetrameric complex, crystal form I
分子名称: CENP-S, CENP-T, CENP-W, ...
著者Nishino, T, Takeuchi, K, Gascoigne, K.E, Suzuki, A, Hori, T, Oyama, T, Morikawa, K, Cheeseman, I.M, Fukagawa, T.
登録日2011-08-23
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献CENP-T-W-S-X Forms a Unique Centromeric Chromatin Structure with a Histone-like Fold
Cell(Cambridge,Mass.), 148, 2012
3VH6
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Crystal structure of the chicken CENP-T histone fold/CENP-W/CENP-S/CENP-X heterotetrameric complex, crystal form II
分子名称: CENP-S, CENP-T, CENP-W, ...
著者Nishino, T, Takeuchi, K, Gascoigne, K.E, Suzuki, A, Hori, T, Oyama, T, Morikawa, K, Cheeseman, I.M, Fukagawa, T.
登録日2011-08-23
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.351 Å)
主引用文献CENP-T-W-S-X Forms a Unique Centromeric Chromatin Structure with a Histone-like Fold
Cell(Cambridge,Mass.), 148, 2012
3W0K
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BU of 3w0k by Molmil
Crystal Structure of a glycoside hydrolase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional endomannanase/endoglucanase
著者Oyama, T, Nakamura, H, Morikawa, K, Cann, I.K.O.
登録日2012-10-31
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a glycoside hydrolase
To be Published
3VSP
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BU of 3vsp by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
分子名称: (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
登録日2012-04-30
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
To be Published
6A56
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BU of 6a56 by Molmil
AJLec from the Sea Anemone Anthopleura japonica
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AJLec, CALCIUM ION, ...
著者Unno, H, Hatakeyama, T.
登録日2018-06-22
公開日2018-07-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Lectin AJLec from the Sea Anemone Anthopleura japonica.
Sci Rep, 8, 2018
5U7R
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BU of 5u7r by Molmil
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2
著者Hoffman, I.D, Skene, R.J.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
5U7Q
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BU of 5u7q by Molmil
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: Rho-associated protein kinase 2
著者Hoffman, I.D.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
分子名称: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
分子名称: CATECHOL, CHLORIDE ION, FE (III) ION, ...
著者Clifton, M.C, Strong, R.K.
登録日2009-01-16
公開日2010-05-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3ABQ
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BU of 3abq by Molmil
Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-Cbl and 2-amino-1-propanol
分子名称: (2S)-2-aminopropan-1-ol, COBALAMIN, Ethanolamine ammonia-lyase heavy chain, ...
著者Shibata, N.
登録日2009-12-21
公開日2010-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of ethanolamine ammonia-lyase complexed with coenzyme B12 analogs and substrates.
J.Biol.Chem., 285, 2010
3ABR
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Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-Cbl (substrate-free form)
分子名称: COBALAMIN, Ethanolamine ammonia-lyase heavy chain, Ethanolamine ammonia-lyase light chain, ...
著者Shibata, N.
登録日2009-12-21
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of ethanolamine ammonia-lyase complexed with coenzyme B12 analogs and substrates.
J.Biol.Chem., 285, 2010
3ABO
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BU of 3abo by Molmil
Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-Cbl and ethanolamine
分子名称: COBALAMIN, ETHANOLAMINE, Ethanolamine ammonia-lyase heavy chain, ...
著者Shibata, N.
登録日2009-12-21
公開日2010-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of ethanolamine ammonia-lyase complexed with coenzyme B12 analogs and substrates.
J.Biol.Chem., 285, 2010
3ABS
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BU of 3abs by Molmil
Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with adeninylpentylcobalamin and ethanolamine
分子名称: CO-(ADENIN-9-YL-PENTYL)-COBALAMIN, ETHANOLAMINE, Ethanolamine ammonia-lyase heavy chain, ...
著者Shibata, N.
登録日2009-12-21
公開日2010-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of ethanolamine ammonia-lyase complexed with coenzyme B12 analogs and substrates.
J.Biol.Chem., 285, 2010
2ZTN
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BU of 2ztn by Molmil
Hepatitis E virus ORF2 (Genotype 3)
分子名称: Capsid protein
著者Yamashita, T, Unno, H, Mori, Y, Li, T.C, Takeda, N, Matsuura, Y.
登録日2008-10-08
公開日2009-08-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Biological and immunological characteristics of hepatitis E virus-like particles based on the crystal structure
Proc.Natl.Acad.Sci.USA, 106, 2009
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
分子名称: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Amano, Y, Tateishi, Y.
登録日2023-11-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
5T1F
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BU of 5t1f by Molmil
Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala
分子名称: ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Uncharacterized protein
著者Yoshida, H, Shimasaki, T, Kamitori, S, Sode, K.
登録日2016-08-19
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction
Sci Rep, 7, 2017

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