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4FSQ
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BU of 4fsq by Molmil
Crystal Structure of the CHK1
分子名称: 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol, SULFATE ION, Serine/threonine-protein kinase Chk1
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
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT0
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BU of 4ft0 by Molmil
Crystal Structure of the CHK1
分子名称: 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
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
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
5PC2
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BU of 5pc2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 23)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCJ
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BU of 5pcj by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 40)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4G9J
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BU of 4g9j by Molmil
Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide
著者Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J.
登録日2012-07-24
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells.
Angew.Chem.Int.Ed.Engl., 51, 2012
5PD1
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BU of 5pd1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 57)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDP
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BU of 5pdp by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 82)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
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
4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
5PE6
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BU of 5pe6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 99)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
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
4FW5
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BU of 4fw5 by Molmil
Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
分子名称: 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ACETATE ION, 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 (1.99 Å)
主引用文献Crystal Structure of the LpxC
to be published
4GBE
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BU of 4gbe by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with SAH
分子名称: DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Harmer, J.E, Roach, P.L.
登録日2012-07-27
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimics
To be Published
4FXX
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BU of 4fxx by Molmil
Structure of SF1 coiled-coil domain
分子名称: IMIDAZOLE, MALONATE ION, Splicing factor 1
著者Gupta, A, Bauer, W.J, Wang, W, Kielkopf, C.L.
登録日2012-07-03
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4801 Å)
主引用文献Structure of Phosphorylated SF1 Bound to U2AF(65) in an Essential Splicing Factor Complex.
Structure, 21, 2013
4GEB
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BU of 4geb by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, ...
著者Pandit, J.
登録日2012-08-01
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.
Bioorg.Med.Chem.Lett., 23, 2013
4FYW
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BU of 4fyw by Molmil
E. coli Aspartate Transcarbamoylase complexed with CTP
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 (2.1 Å)
主引用文献Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
4GGH
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BU of 4ggh by Molmil
Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
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2012-08-06
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 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, hepes, and ethylene glycol bound (ordered loops, space group c2221)
To be Published
4GGB
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BU of 4ggb by Molmil
Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, TARGET EFI-500704, WITH BOUND CA, DISORDERED LOOPS
分子名称: CALCIUM ION, CHLORIDE ION, Putative uncharacterized protein
著者Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation.
Acta Crystallogr.,Sect.F, 72, 2016
4FTQ
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BU of 4ftq by Molmil
Crystal Structure of the CHK1
分子名称: 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile, 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
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
5PBC
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BU of 5pbc by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09724a
分子名称: 1,2-ETHANEDIOL, 4-bromo-1H-imidazole, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4GH2
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BU of 4gh2 by Molmil
Crystal Structure of the CHK1
分子名称: 3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-08-07
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of the CHK1
To be Published
5PBD
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BU of 5pbd by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09682a
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PARA ACETAMIDO BENZOIC ACID
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1X9D
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BU of 1x9d by Molmil
Crystal Structure Of Human Class I alpha-1,2-Mannosidase In Complex With Thio-Disaccharide Substrate Analogue
分子名称: 1,4-BUTANEDIOL, CALCIUM ION, Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, ...
著者Karaveg, K, Tempel, W, Liu, Z.J, Siriwardena, A, Moremen, K.W, Wang, B.C.
登録日2004-08-20
公開日2005-02-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Mechanism of class 1 (glycosylhydrolase family 47) {alpha}-mannosidases involved in N-glycan processing and endoplasmic reticulum quality control.
J.Biol.Chem., 280, 2005
5PBP
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BU of 5pbp by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 10)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
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
5PC3
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BU of 5pc3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 24)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCG
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BU of 5pcg by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 37)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
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 (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED

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件を2024-08-14に公開中

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