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8JMN
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BU of 8jmn by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-21
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-06-05
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
5KO7
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BU of 5ko7 by Molmil
Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN
分子名称: FLAVIN MONONUCLEOTIDE, Nitroreductase
著者Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.
登録日2016-06-29
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
2ZDT
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BU of 2zdt by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
分子名称: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10
著者Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
4TTB
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BU of 4ttb by Molmil
Crystal structure of homo sapiens IODOTYROSINE DEIODINASE (IYD) bound to FMN
分子名称: FLAVIN MONONUCLEOTIDE, Iodotyrosine dehalogenase 1
著者Chuenchor, W, Hu, J, Rokita, S.
登録日2014-06-20
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献A Switch between One- and Two-electron Chemistry of the Human Flavoprotein Iodotyrosine Deiodinase Is Controlled by Substrate.
J.Biol.Chem., 290, 2015
4TTC
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BU of 4ttc by Molmil
Crystal structure of homo sapiens IODOTYROSINE DEIODINASE bound to FMN and mono-iodotyrosine (MIT)
分子名称: 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Iodotyrosine dehalogenase 1
著者Chuenchor, W, Hu, J, Rokita, S.
登録日2014-06-20
公開日2014-11-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Switch between One- and Two-electron Chemistry of the Human Flavoprotein Iodotyrosine Deiodinase Is Controlled by Substrate.
J.Biol.Chem., 290, 2015
3A6U
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BU of 3a6u by Molmil
Crystal structure of MutT-8-OXO-dGMP-MN(II) complex
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mutator mutT protein, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
3A6S
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BU of 3a6s by Molmil
Crystal structure of the MutT protein
分子名称: L(+)-TARTARIC ACID, Mutator mutT protein, SODIUM ION
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
4HL0
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BU of 4hl0 by Molmil
Crystal structure of full-length Toxascaris leonina galectin
分子名称: galectin
著者Jeong, M.S.
登録日2012-10-15
公開日2013-02-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of full-length Toxascaris leonina galectin with two carbohydrate-recognition domains.
Acta Crystallogr.,Sect.D, 69, 2013
6WCR
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BU of 6wcr by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule F0045(S)
分子名称: (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者kadam, R.U, Wilson, I.A.
登録日2020-03-31
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AX7
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BU of 5ax7 by Molmil
yeast pyruvyltransferase Pvg1p
分子名称: Pyruvyl transferase 1, ZINC ION
著者Kanekiyo, M, Yoritsune, K, Yoshinaga, S, Higuchi, Y, Takegawa, K, Kakuta, Y.
登録日2015-07-16
公開日2016-06-08
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A rationally engineered yeast pyruvyltransferase Pvg1p introduces sialylation-like properties in neo-human-type complex oligosaccharide
Sci Rep, 6, 2016
7DBJ
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BU of 7dbj by Molmil
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ...
著者Sogabe, S, Miwa, M.
登録日2020-10-20
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
著者Sogabe, S, Miwa, M.
登録日2020-10-20
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
分子名称: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
著者Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
3VKN
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BU of 3vkn by Molmil
Galectin-8 N-terminal domain in free form
分子名称: CHLORIDE ION, Galectin-8
著者Kamitori, S, Yoshida, H.
登録日2011-11-18
公開日2012-09-12
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 structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Febs J., 279, 2012
3VKL
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BU of 3vkl by Molmil
Protease-resistant mutant form of human Galectin-8 in complex with two lactose molecules
分子名称: 1,2-ETHANEDIOL, Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Kamitori, S, Yoshida, H.
登録日2011-11-18
公開日2012-09-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献X-ray structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Febs J., 279, 2012
3VKO
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BU of 3vko by Molmil
Galectin-8 N-terminal domain in complex with sialyllactosamine
分子名称: CHLORIDE ION, Galectin-8, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kamitori, S, Yoshida, H.
登録日2011-11-18
公開日2012-09-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Febs J., 279, 2012
3A6V
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BU of 3a6v by Molmil
Crystal structure of the MutT protein in MN(II) bound holo form
分子名称: L(+)-TARTARIC ACID, MANGANESE (II) ION, Mutator mutT protein, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
3A6T
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BU of 3a6t by Molmil
Crystal structure of MutT-8-OXO-DGMP complex
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
3A1M
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BU of 3a1m by Molmil
A fusion protein of a beta helix region of gene product 5 and the foldon region of bacteriophage T4
分子名称: POTASSIUM ION, chimera of thrombin cleavage site, Tail-associated lysozyme, ...
著者Yokoi, N, Suzuki, A, Hikage, T, Koshiyama, T, Terauchi, M, Yutani, K, Kanamaru, S, Arisaka, F, Yamane, T, Watanabe, Y, Ueno, T.
登録日2009-04-11
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Construction of Robust Bio-nanotubes using the Controlled Self-Assembly of Component Proteins of Bacteriophage T4
Small, 6, 2010
3WNK
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BU of 3wnk by Molmil
Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Kobayashi, M, Kimura, A, Funane, K.
登録日2013-12-10
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
5TNK
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BU of 5tnk by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxyoctane hydrolysis intermediate
分子名称: (2R)-octane-1,2-diol, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-10-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNL
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BU of 5tnl by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyhexane hydrolysis intermediate
分子名称: (2R)-hexane-1,2-diol, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-10-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TND
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BU of 5tnd by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate
分子名称: (1R,2R)-cyclohexane-1,2-diol, (1S,2S)-cyclohexane-1,2-diol, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-10-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNH
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BU of 5tnh by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE hydrolysis intermediate
分子名称: (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-10-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNS
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BU of 5tns by Molmil
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
分子名称: (1R,6S)-7-oxabicyclo[4.1.0]heptane, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-10-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017

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