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PDB: 45910 件

5PMP
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BU of 5pmp by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 183)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PK8
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BU of 5pk8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 93)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PNF
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BU of 5pnf by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 209)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4LBY
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BU of 4lby by Molmil
Identifying ligand binding hot spots in proteins using brominated fragments
分子名称: AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ...
著者Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
登録日2013-06-21
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.692 Å)
主引用文献Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
5PKO
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BU of 5pko by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 109)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PNO
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BU of 5pno by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 218)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PL4
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BU of 5pl4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 125)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4GSI
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BU of 4gsi by Molmil
DNA Holliday junction stabilized by fluorine halogen bond. F2J construct of related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UFP)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
5PLL
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BU of 5pll by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 142)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1N0X
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BU of 1n0x by Molmil
Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, B2.1 peptide, GLYCEROL, ...
著者Saphire, E.O, Montero, M, Menendez, A, Irving, M.B, Zwick, M.B, Parren, P.W.H.I, Burton, D.R, Scott, J.K, Wilson, I.A.
登録日2002-10-15
公開日2004-04-13
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
To be Published
5PLU
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BU of 5plu by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 151)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PM2
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BU of 5pm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 160)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PMG
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BU of 5pmg by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 174)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1N5M
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BU of 1n5m by Molmil
Crystal structure of the mouse acetylcholinesterase-gallamine complex
分子名称: 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM], 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
著者Bourne, Y, Taylor, P, Radic, Z, Marchot, P.
登録日2002-11-06
公開日2003-02-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
5PN1
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BU of 5pn1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 195)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
8CYI
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BU of 8cyi by Molmil
Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ...
著者Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q.
登録日2022-05-23
公開日2023-04-12
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022
5PNL
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BU of 5pnl by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 215)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PH3
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BU of 5ph3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09575a
分子名称: 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, Lysine-specific demethylase 4D, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1N5Z
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BU of 1n5z by Molmil
Complex structure of Pex13p SH3 domain with a peptide of Pex14p
分子名称: 14-mer peptide from Peroxisomal membrane protein PEX14, Peroxisomal membrane protein PAS20
著者Douangamath, A, Filipp, F.V, Klein, A.T.J, Barnett, P, Zou, P, Voorn-Brouwer, T, Vega, M.C, Mayans, O.M, Sattler, M, Distel, B, Wilmanns, M.
登録日2002-11-08
公開日2002-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain
MOL.CELL, 10, 2002
5PHK
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BU of 5phk by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09720a
分子名称: 1,2-ETHANEDIOL, BENZIMIDAZOLE, Lysine-specific demethylase 4D, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PHV
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BU of 5phv by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 8)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
8FDT
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BU of 8fdt by Molmil
Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, ...
著者Ton, W, Wang, Y, Chai, P.
登録日2022-12-04
公開日2023-06-21
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
5PID
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BU of 5pid by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 26)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
分子名称: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
著者Orth, P.
登録日2009-09-23
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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