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3NCO
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BU of 3nco by Molmil
Crystal structure of FnCel5A from F. nodosum Rt17-B1
分子名称: Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ...
著者Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y.
登録日2010-06-05
公開日2011-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of FnCel5A from F. nodosum Rt17-B1
To be Published
7XBW
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BU of 7xbw by Molmil
Cryo-EM structure of the human chemokine receptor CX3CR1 in complex with Gi1
分子名称: CHOLESTEROL, CX3C chemokine receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q.
登録日2022-03-22
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Activation of the human chemokine receptor CX3CR1 regulated by cholesterol.
Sci Adv, 8, 2022
7XBX
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BU of 7xbx by Molmil
Cryo-EM structure of the human chemokine receptor CX3CR1 in complex with CX3CL1 and Gi1
分子名称: CHOLESTEROL, 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Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q.
登録日2022-03-22
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Activation of the human chemokine receptor CX3CR1 regulated by cholesterol.
Sci Adv, 8, 2022
7TVK
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BU of 7tvk by Molmil
Structural, Kinetic, and Mechanistic Analysis of the Wild-Type and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
分子名称: Malonate Semialdehyde Decarboxylase
著者Yang, W.J, Zhang, Y.J.
登録日2022-02-05
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Kinetic, Inhibition, and Structural Characterization of a Malonate Semialdehyde Decarboxylase-like Protein from Calothrix sp. PCC 6303: A Gateway to the non-Pro1 Tautomerase Superfamily Members.
Biochemistry, 2022
7CBO
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BU of 7cbo by Molmil
Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila in complex with GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL, ...
著者Xu, W, Wang, M, Zhang, M.
登録日2020-06-13
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation.
Biochem.Biophys.Res.Commun., 529, 2020
7CBN
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BU of 7cbn by Molmil
Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila
分子名称: Beta-N-acetylhexosaminidase, GLYCEROL, MALONIC ACID
著者Xu, W, Wang, M, Zhang, M.
登録日2020-06-13
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation.
Biochem.Biophys.Res.Commun., 529, 2020
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-06-26
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
4KSA
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BU of 4ksa by Molmil
Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127
分子名称: MAGNESIUM ION, Malonyl-CoA decarboxylase
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-17
公開日2013-06-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
4N9J
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BU of 4n9j by Molmil
Crystal structure of the cryptic polo box domain of human Plk4
分子名称: CHLORIDE ION, SULFATE ION, Serine/threonine-protein kinase PLK4
著者Ku, B, Kim, J.H, Lee, K.S, Kim, S.J.
登録日2013-10-21
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Molecular basis for unidirectional scaffold switching of human Plk4 in centriole biogenesis.
Nat.Struct.Mol.Biol., 21, 2014
4KSF
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BU of 4ksf by Molmil
Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35
分子名称: CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-17
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
5WH5
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BU of 5wh5 by Molmil
Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
分子名称: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
5UZT
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BU of 5uzt by Molmil
Structure of wild type pre-miR21 apical loop
分子名称: pre-miR-21
著者Shortridge, M.D, Varani, G.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Macrocyclic Peptide Ligand Binds the Oncogenic MicroRNA-21 Precursor and Suppresses Dicer Processing.
ACS Chem. Biol., 12, 2017
5WH6
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BU of 5wh6 by Molmil
Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91)
分子名称: 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Ke, H, Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
2LFN
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BU of 2lfn by Molmil
Identification of the key regions that drive functional amyloid formation by the fungal hydrophobin EAS
分子名称: Hydrophobin
著者Macindoe, I, Kwan, A.H, Morris, V.K, Mackay, J.P, Sunde, M.
登録日2011-07-06
公開日2012-01-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Self-assembly of functional, amphipathic amyloid monolayers by the fungal hydrophobin EAS
Proc.Natl.Acad.Sci.USA, 109, 2012
4KS9
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BU of 4ks9 by Molmil
Crystal Structure of Malonyl-CoA decarboxylase (Rmet_2797) from Cupriavidus metallidurans, Northeast Structural Genomics Consortium Target CrR76
分子名称: MAGNESIUM ION, Malonyl-CoA decarboxylase
著者Forouhar, F, Tran, T.H, Lew, S, Seetharaman, J, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-17
公開日2013-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
2NNW
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BU of 2nnw by Molmil
Alternative conformations of Nop56/58-fibrillarin complex and implication for induced-fit assenly of box C/D RNPs
分子名称: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein
著者Oruganti, S, Zhang, Y, Terns, R, Terns, M.P, Li, H.
登録日2006-10-24
公開日2007-08-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Alternative Conformations of the Archaeal Nop56/58-Fibrillarin Complex Imply Flexibility in Box C/D RNPs.
J.Mol.Biol., 371, 2007
4R0T
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BU of 4r0t by Molmil
Crystal structure of P. aeruginosa TpbA (C132S) in complex with pTyr
分子名称: PHOSPHATE ION, Protein tyrosine phosphatase TpbA, TYROSINE
著者Xu, K, Li, S, Wang, Y, Bartlam, M.
登録日2014-08-01
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1
Plos One, 10
4R1B
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BU of 4r1b by Molmil
Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1, AMA1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
6JEA
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BU of 6jea by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-04
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.275 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
4V06
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BU of 4v06 by Molmil
Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
分子名称: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
著者Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-09-11
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published
6JE8
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BU of 6je8 by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-04
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JEB
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BU of 6jeb by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-05
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
2IQF
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BU of 2iqf by Molmil
Crystal structure of Helicobacter pylori catalase compound I
分子名称: ACETATE ION, Catalase, OXYGEN ATOM, ...
著者Loewen, P.C, Carpena, X, Fita, I.
登録日2006-10-13
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
J.Am.Chem.Soc., 129, 2007

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