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5PW8
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PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 259)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM 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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PWQ
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BU of 5pwq by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 14)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
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
5PX7
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BU of 5px7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 31)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PXN
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PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 47)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PY4
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BU of 5py4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 64)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PYM
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BU of 5pym by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 82)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PZ0
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BU of 5pz0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 96)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4GDK
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BU of 4gdk by Molmil
Crystal Structure of Human Atg12~Atg5 Conjugate in Complex with an N-terminal Fragment of Atg16L1
分子名称: Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ...
著者Otomo, C, Metlagel, Z, Takaesu, G, Otomo, T.
登録日2012-07-31
公開日2012-12-05
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the human ATG12~ATG5 conjugate required for LC3 lipidation in autophagy.
Nat.Struct.Mol.Biol., 20, 2013
5PZG
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BU of 5pzg by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 112)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4FSY
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BU of 4fsy by Molmil
Crystal Structure of the CHK1
分子名称: 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTB
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BU of 4ftb by Molmil
Crystal structure of the authentic Flock House virus particle
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
登録日2012-06-27
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FUH
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BU of 4fuh by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FV4
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BU of 4fv4 by Molmil
Crystal Structure of the ERK2 complexed with EK7
分子名称: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK7
TO BE PUBLISHED
4FW6
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BU of 4fw6 by Molmil
Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-29
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the LpxC
to be published
4GIS
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BU of 4gis by Molmil
crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122)
分子名称: CHLORIDE ION, Enolase, GLYCEROL, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-08
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122)
To be Published
4FXS
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BU of 4fxs by Molmil
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MYCOPHENOLIC ACID, ...
著者Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-03
公開日2012-07-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid.
To be Published
4GJV
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BU of 4gjv by Molmil
Streptavidin-S112H
分子名称: CHLORIDE ION, Rhodium, Streptavidin, ...
著者Heinisch, T, Schirmer, T.
登録日2012-08-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A dual anchoring strategy for the localization and activation of artificial metalloenzymes based on the biotin-streptavidin technology.
J.Am.Chem.Soc., 135, 2013
4FYY
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BU of 4fyy by Molmil
E. coli Aspartate Transcarbamoylase Complexed with CTP, UTP, and Mg2+
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Cockrell, G.M, Kantrowitz, E.R.
登録日2012-07-05
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9395 Å)
主引用文献Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
4GL1
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BU of 4gl1 by Molmil
Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant
分子名称: Carbonic anhydrase 2, ZINC ION
著者West, D.M.
登録日2012-08-13
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases
To be Published
4G2U
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BU of 4g2u by Molmil
Crystal Structure Analysis of Ostertagia ostertagi ASP-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ancylostoma-secreted protein-like protein, SULFATE ION
著者Weeks, S.D, Borloo, J, Geldhof, P, Vercruysse, J, Strelkov, S.V.
登録日2012-07-13
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ostertagia ostertagi ASP-1: insights into disulfide-mediated cyclization and dimerization
Acta Crystallogr.,Sect.D, 69, 2013
4GLX
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BU of 4glx by Molmil
DNA ligase A in complex with inhibitor
分子名称: 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide, DNA (26-MER), DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3'), ...
著者Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A.
登録日2012-08-15
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
4GM4
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BU of 4gm4 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403I
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
登録日2012-08-15
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4G8T
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BU of 4g8t by Molmil
Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-07-23
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop
TO BE PUBLISHED
4GDE
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BU of 4gde by Molmil
Crystal structure of NADPH-reduced Aspergillus fumigatus UDP-galactopyranose
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase
著者Tanner, J.J, Dhatwalia, R.D, Singh, H.
登録日2012-07-31
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the NAD(P)H Binding Site of Eukaryotic UDP-Galactopyranose Mutase.
J.Am.Chem.Soc., 134, 2012

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