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8RE3
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BU of 8re3 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) mutant M190G from Deinoccoccus radiodurans
分子名称: CALCIUM ION, CHLORIDE ION, HYDROXIDE ION, ...
著者Salgueiro, B.A, Frade, K, Frazao, C, Matias, P, Moe, E.
登録日2023-12-10
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
8RE2
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BU of 8re2 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) from Deinoccoccus radiodurans
分子名称: GLYCEROL, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Salgueiro, B.A, Frade, K, Frazao, C, Moe, E.
登録日2023-12-10
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
4I9D
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BU of 4i9d by Molmil
X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl
分子名称: ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ...
著者Cherrier, M.V, Amara, P, Iannello, M, Cavazza, C.
登録日2012-12-05
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An artificial oxygenase built from scratch: substrate binding site identified using a docking approach.
Angew.Chem.Int.Ed.Engl., 52, 2013
4GTV
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BU of 4gtv by Molmil
Engineered RabGGTase in complex with BMS analogue 13
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
6ONC
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BU of 6onc by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, as-isolated
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
著者Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
登録日2019-04-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
4GTM
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BU of 4gtm by Molmil
FTase in complex with BMS analogue 11
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-28
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTO
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BU of 4gto by Molmil
FTase in complex with BMS analogue 14
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTT
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BU of 4gtt by Molmil
Engineered RabGGTase in complex with BMS analogue 12
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTR
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FTase in complex with BMS analogue 13
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTS
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Engineered RabGGTase in complex with BMS analogue 16
分子名称: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTP
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BU of 4gtp by Molmil
FTase in complex with BMS analogue 16
分子名称: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
3IG7
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BU of 3ig7 by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2
分子名称: Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
著者Pandit, J.
登録日2009-07-27
公開日2009-09-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
3IGG
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BU of 3igg by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2
分子名称: Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
著者Pandit, J.
登録日2009-07-27
公開日2009-09-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
4GTQ
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BU of 4gtq by Molmil
FTase in complex with BMS analogue 12
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
2BTW
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BU of 2btw by Molmil
Crystal structure of Alr0975
分子名称: ALR0975 PROTEIN, CALCIUM ION
著者Vivares, D, Arnoux, P, Pignol, D.
登録日2005-06-07
公開日2005-12-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis.
Proc.Natl.Acad.Sci.USA, 102, 2005
8VQ2
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BU of 8vq2 by Molmil
HSV1 polymerase ternary complex with dsDNA and compound 44
分子名称: 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ...
著者Hayes, R.P, Heo, M.R, Plotkin, M.
登録日2024-01-17
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.829 Å)
主引用文献Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024
8VCN
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BU of 8vcn by Molmil
GluER mutant - W66F F269Y Q293T F68Y T36E P263L
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K.
登録日2023-12-14
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146, 2024
1VLK
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BU of 1vlk by Molmil
STRUCTURE OF VIRAL INTERLEUKIN-10
分子名称: VIRAL INTERLEUKIN-10
著者Zdanov, A, Schalk-Hihi, C, Wlodawer, A.
登録日1997-02-14
公開日1997-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Epstein-Barr virus protein BCRF1, a homolog of cellular interleukin-10.
J.Mol.Biol., 268, 1997
2BU3
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BU of 2bu3 by Molmil
Acyl-enzyme intermediate between Alr0975 and glutathione at pH 3.4
分子名称: ALR0975 PROTEIN, CALCIUM ION, CHLORIDE ION, ...
著者Vivares, D, Arnoux, P, Pignol, D.
登録日2005-06-08
公開日2005-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis.
Proc.Natl.Acad.Sci.USA, 102, 2005
7RA7
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BU of 7ra7 by Molmil
Crystal structure of rabbit anti-HIV Fab 11A
分子名称: 11A Fab heavy chain, 11A Fab light chain, PENTAETHYLENE GLYCOL, ...
著者Oyen, D, Wilson, I.A.
登録日2021-06-30
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions
To Be Published
2CO5
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BU of 2co5 by Molmil
F93 FROM STIV, a winged-helix DNA-binding protein
分子名称: VIRAL PROTEIN F93
著者Larson, E.T, Reiter, D, Lawrence, C.M.
登録日2006-05-25
公開日2006-05-31
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Winged-Helix Protein from Sulfolobus Turreted Icosahedral Virus Points Toward Stabilizing Disulfide Bonds in the Intracellular Proteins of a Hyperthermophilic Virus.
Virology, 368, 2007
3E85
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BU of 3e85 by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea
分子名称: 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION
著者Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
登録日2008-08-19
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.
Febs J., 276, 2009
1XDF
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BU of 1xdf by Molmil
Crystal structure of pathogenesis-related protein LlPR-10.2A from yellow lupine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PR10.2A, SODIUM ION
著者Pasternak, O, Biesiadka, J, Dolot, R, Handschuh, L, Bujacz, G, Sikorski, M.M, Jaskolski, M.
登録日2004-09-06
公開日2005-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a yellow lupin pathogenesis-related PR-10 protein belonging to a novel subclass.
Acta Crystallogr.,Sect.D, 61, 2005
8T52
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HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024

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