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3HHA
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BU of 3hha by Molmil
Crystal structure of cathepsin L in complex with AZ12878478
Descriptor: ACETATE ION, Cathepsin L1, GLYCEROL, ...
Authors:Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S.
Deposit date:2009-05-15
Release date:2009-06-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
7ANH
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BU of 7anh by Molmil
DdhaC
Descriptor: GDP-L-fucose synthase
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-11
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:DdhaC
To Be Published
7ANI
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BU of 7ani by Molmil
DdahB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni
Descriptor: GLYCEROL, Thymidine diphospho-4-keto-rhamnose 3,5-epimerase
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-11
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:DdahB
To Be Published
7ANG
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BU of 7ang by Molmil
MlghB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni
Descriptor: Thymidine diphospho-4-keto-rhamnose 3,5-epimerase
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-11
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:MghlB
To Be Published
7ANC
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BU of 7anc by Molmil
MlghC, GDP-mannoheptose C4 reductase from Campylobacter jejuni with NADP bound
Descriptor: GDP-L-fucose synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-11
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:MghlC
To Be Published
7AN4
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BU of 7an4 by Molmil
MlghB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni complex with GDP-mannose
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Thymidine diphospho-4-keto-rhamnose 3,5-epimerase
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-10
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MghlB with GDP
To Be Published
7ANJ
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BU of 7anj by Molmil
DdahB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni complexed to GDP-mannose
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Thymidine diphospho-4-keto-rhamnose 3,5-epimerase
Authors:Naismith, J.H, Woodward, L.
Deposit date:2020-10-11
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:DdhaB with GDP-mannose
To Be Published
5FLO
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BU of 5flo by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLR
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BU of 5flr by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNJ
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BU of 5fnj by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLQ
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BU of 5flq by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 2-(4-phenylmethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNG
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BU of 5fng by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNK
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BU of 5fnk by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLT
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BU of 5flt by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 3-phenoxybenzoic acid, GLYCEROL, HUMAN CARBONIC ANHYDRASE 2, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNH
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BU of 5fnh by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLP
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BU of 5flp by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLS
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BU of 5fls by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNI
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BU of 5fni by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNM
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BU of 5fnm by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
1GK5
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BU of 1gk5 by Molmil
Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor
Descriptor: Pro-epidermal growth factor,Protransforming growth factor alpha
Authors:Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L.
Deposit date:2001-08-08
Release date:2002-08-08
Last modified:2018-03-28
Method:SOLUTION NMR
Cite:Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
4XIT
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BU of 4xit by Molmil
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
Descriptor: 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Neubert, T.
Deposit date:2015-01-07
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8W1L
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BU of 8w1l by Molmil
Structure of CSF1R kinase domain in complex with Cpd 32
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor,CSF1R, SULFATE ION, ...
Authors:Kothe, M, Chodaparambil, J.
Deposit date:2024-02-16
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of Selective Imidazopyridine CSF1R Inhibitors.
Acs Med.Chem.Lett., 15, 2024
4XIR
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BU of 4xir by Molmil
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
Descriptor: (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Neubert, T, Zuccola, H.J.
Deposit date:2015-01-07
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4XIP
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BU of 4xip by Molmil
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
Descriptor: 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Neubert, T.
Deposit date:2015-01-07
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

 

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