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7XWU
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Ketoreductase CpKR mutant - M1
分子名称: DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chen, C, Zheng, Y.C, Pan, J, Xu, J.H.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
7XWT
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Crystal structure of Feruoyl-CoA hydratase/lyase complexed with CoA from Sphingomonas paucimobilis
分子名称: ACETYL COENZYME *A, Feruloyl-CoA hydratase/lyase
著者Seok, J, Kim, K.-J.
登録日2022-05-27
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Production of various phenolic aldehyde compounds using the 4CL-FCHL biosynthesis platform.
Int.J.Biol.Macromol., 226, 2023
7XWS
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Crystal structure of Wild Type Cypovirus Polyhedra produced by cell-free protein synthesis with small volume
分子名称: ACETYL GROUP, CHLORIDE ION, Polyhedrin
著者Abe, S, Tanaka, J, Kojima, M, Hirata, K, Yamashita, K, Ueno, T.
登録日2022-05-27
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cell-free protein crystallization for nanocrystal structure determination.
Sci Rep, 12, 2022
7XWR
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Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWQ
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Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWP
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BU of 7xwp by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWO
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BU of 7xwo by Molmil
Neurokinin A bound to active human neurokinin 2 receptor in complex with G324
分子名称: G324, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, W.J, Yuan, Q.N, Zhang, H.H, Yang, F, Ling, S.L, Lv, P, Eric, X, Tian, C.L, Yin, W.C, Shi, P.
登録日2022-05-26
公開日2023-05-31
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insights into the activation of neurokinin 2 receptor by neurokinin A.
Cell Discov, 8, 2022
7XWC
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Feruloyl-CoA hydratase/lyase from Sphingomonas paucimobilis SYK-6
分子名称: DI(HYDROXYETHYL)ETHER, Feruloyl-CoA hydratase/lyase, GLYCEROL
著者Seok, J, Kim, K.-J.
登録日2022-05-26
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Production of various phenolic aldehyde compounds using the 4CL-FCHL biosynthesis platform.
Int.J.Biol.Macromol., 226, 2023
7XWA
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Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者Suzuki, T, Kimura, K, Hashiguchi, T.
登録日2022-05-26
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
7XW8
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Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct
分子名称: GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ...
著者Oki, H.
登録日2022-05-26
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Eur.J.Med.Chem., 239, 2022
7XVZ
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BU of 7xvz by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
分子名称: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XVX
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Neutron crystal structure of human macrophage migration inhibitory factor
分子名称: Macrophage migration inhibitory factor
著者Ezawa, T, Tamada, T, Odaka, M, Matsumura, H.
登録日2022-05-25
公開日2023-05-31
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Neutron crystal structure of human macrophage migration inhibitory factor
To Be Published
7XVW
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BU of 7xvw by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
著者Chai, Y, Gao, F.
登録日2022-05-25
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVV
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Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Chai, Y, Gao, F.
登録日2022-05-24
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVU
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BU of 7xvu by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Chai, Y, Gao, F.
登録日2022-05-24
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVR
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BU of 7xvr by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase
著者Chai, Y, Gao, F.
登録日2022-05-24
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVO
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BU of 7xvo by Molmil
a bacteria protein complex
分子名称: CRISPR-associated endonuclease Cas9, Uncharacterized protein
著者Zhang, H, Li, X.Z, Song, G.Y.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献a bacteria protein
To Be Published
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
分子名称: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-05-24
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
7XVI
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pathogen effectors which are essential to cause plant disease by manipulating cellular processes in the host
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, PITG_15142
著者Wang, J, Wang, Y.
登録日2022-05-23
公開日2023-07-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Pathogen protein modularity enables elaborate mimicry of a host phosphatase.
Cell, 186, 2023
7XVF
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Nav1.7 mutant class2
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-22
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVE
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Human Nav1.7 mutant class-I
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-21
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XV7
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Crystal structure of ZYG11B bound to ORF10 peptide
分子名称: Protein zyg-11 homolog B, SULFATE ION
著者Dong, C, Yan, X, Li, Y.
登録日2022-05-21
公開日2022-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into ORF10 recognition by ZYG11B.
Biochem.Biophys.Res.Commun., 616, 2022
7XV3
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BU of 7xv3 by Molmil
Cryo-EM structure of LPS-bound GPR174 in complex with Gs protein
分子名称: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, Engineered G protein subunit S (mini-Gs), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者He, Y, Liang, J.
登録日2022-05-20
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis of lysophosphatidylserine receptor GPR174 ligand recognition and activation.
Nat Commun, 14, 2023
7XUQ
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Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
分子名称: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
著者Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
登録日2022-05-19
公開日2022-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022

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件を2024-08-14に公開中

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