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3NCO
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BU of 3nco by Molmil
Crystal structure of FnCel5A from F. nodosum Rt17-B1
Descriptor: Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ...
Authors:Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y.
Deposit date:2010-06-05
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CHOLESTEROL, CX3C chemokine receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q.
Deposit date:2022-03-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q.
Deposit date:2022-03-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: Malonate Semialdehyde Decarboxylase
Authors:Yang, W.J, Zhang, Y.J.
Deposit date:2022-02-05
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL, ...
Authors:Xu, W, Wang, M, Zhang, M.
Deposit date:2020-06-13
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Beta-N-acetylhexosaminidase, GLYCEROL, MALONIC ACID
Authors:Xu, W, Wang, M, Zhang, M.
Deposit date:2020-06-13
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: MAGNESIUM ION, Malonyl-CoA decarboxylase
Authors: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)
Deposit date:2013-05-17
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CHLORIDE ION, SULFATE ION, Serine/threonine-protein kinase PLK4
Authors:Ku, B, Kim, J.H, Lee, K.S, Kim, S.J.
Deposit date:2013-10-21
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.601 Å)
Cite: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
Descriptor: CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION
Authors: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)
Deposit date:2013-05-17
Release date:2013-06-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: pre-miR-21
Authors:Shortridge, M.D, Varani, G.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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)
Descriptor: 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Ke, H, Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-07-10
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.854 Å)
Cite: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
Descriptor: Hydrophobin
Authors:Macindoe, I, Kwan, A.H, Morris, V.K, Mackay, J.P, Sunde, M.
Deposit date:2011-07-06
Release date:2012-01-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: MAGNESIUM ION, Malonyl-CoA decarboxylase
Authors: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)
Deposit date:2013-05-17
Release date:2013-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein
Authors:Oruganti, S, Zhang, Y, Terns, R, Terns, M.P, Li, H.
Deposit date:2006-10-24
Release date:2007-08-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: PHOSPHATE ION, Protein tyrosine phosphatase TpbA, TYROSINE
Authors:Xu, K, Li, S, Wang, Y, Bartlam, M.
Deposit date:2014-08-01
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.603 Å)
Cite: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
Descriptor: Apical membrane antigen 1, AMA1
Authors:Lim, S.S, Norton, R.S, McGowan, S.
Deposit date:2014-08-04
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.275 Å)
Cite: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
Descriptor: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
Authors: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.
Deposit date:2014-09-11
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite: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
Descriptor: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite: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
Descriptor: ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-05
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite: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
Descriptor: 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
Authors:Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
Deposit date:2022-07-04
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.642 Å)
Cite: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
Descriptor: ACETATE ION, Catalase, OXYGEN ATOM, ...
Authors:Loewen, P.C, Carpena, X, Fita, I.
Deposit date:2006-10-13
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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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