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1IVF
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BU of 1ivf by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Jedrzejas, M.J, Luo, M.
登録日1994-12-12
公開日1995-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
7DW7
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BU of 7dw7 by Molmil
Crystal Structure of N1051A mutant of Formylglycinamidine Synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
7KXJ
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BU of 7kxj by Molmil
SARS-CoV-2 spike protein in complex with Fab 15033-7, 3-"up", asymmetric
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ...
著者Li, Z, Rini, J.
登録日2020-12-04
公開日2021-02-03
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
5INJ
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BU of 5inj by Molmil
Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Prenyltransferase, ...
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-03-07
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
4FPW
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BU of 4fpw by Molmil
Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural Genomics Consortium Target MiR12.
分子名称: CalU16
著者Seetharaman, J, Lew, S, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Phillips Jr, G.N, Kennedy, M.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-06-22
公開日2012-12-12
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2IIV
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BU of 2iiv by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Biftu, T.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
3D4L
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BU of 3d4l by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2008-05-14
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
1XMT
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BU of 1xmt by Molmil
X-ray structure of gene product from arabidopsis thaliana at1g77540
分子名称: BROMIDE ION, putative acetyltransferase
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-10-04
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family.
Biochemistry, 45, 2006
5Z5W
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BU of 5z5w by Molmil
VFR12 in complex with LPS micelles
分子名称: Peptide from Prothrombin
著者Saravanan, R, Schmidtchen, A.
登録日2018-01-21
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
5Z5X
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BU of 5z5x by Molmil
HVF18 in complex with LPS micelles
分子名称: Peptide from Prothrombin
著者Saravanan, R, Schmidtchen, A.
登録日2018-01-21
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
2IL4
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BU of 2il4 by Molmil
Crystal structure of At1g77540-Coenzyme A Complex
分子名称: COENZYME A, Protein At1g77540
著者Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-10-02
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family.
Biochemistry, 45, 2006
6LFH
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BU of 6lfh by Molmil
X-ray crystal structure of chemically synthesized human lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kar, A, Das, A, Mandal, K.
登録日2019-12-02
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Efficient Chemical Protein Synthesis using Fmoc-Masked N-Terminal Cysteine in Peptide Thioester Segments.
Angew.Chem.Int.Ed.Engl., 59, 2020
6LYM
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BU of 6lym by Molmil
Crystal structure of D657A mutant of formylglycinamidine synthetase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2020-02-14
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYO
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BU of 6lyo by Molmil
Crystal Structure of H296A mutant of Formylglycinamidine Synthetase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2020-02-15
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYK
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BU of 6lyk by Molmil
Crystal Structure of R1263A mutant of Formylglycinamidine Synthetase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2020-02-14
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYL
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BU of 6lyl by Molmil
Crystal structure of S1052D mutant of Formylglycinamidine synthetase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2020-02-14
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
3D0R
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BU of 3d0r by Molmil
Crystal structure of calG3 from Micromonospora echinospora determined in space group P2(1)
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein CalG3
著者Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N.
登録日2008-05-02
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 2008
2O9Z
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BU of 2o9z by Molmil
Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the Apo form
分子名称: PHOSPHATE ION, Tryptophan halogenase
著者Bitto, E, Bingman, C.A, Phillips Jr, G.N.
登録日2006-12-14
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献The structure of flavin-dependent tryptophan 7-halogenase RebH.
Proteins, 70, 2008
2NAT
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BU of 2nat by Molmil
Structural insights into interaction of KYE28 and lipopolysachharide
分子名称: Heparin cofactor 2
著者Bhunia, A, Malmsten, M, Datta, A.
登録日2016-01-11
公開日2016-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control.
J. Biol. Chem., 291, 2016
2NAU
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BU of 2nau by Molmil
Solution structure of KYE28A in lipopolysachharide
分子名称: entity
著者Bhunia, A, Malmsten, M, Datta, A.
登録日2016-01-11
公開日2016-05-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control.
J. Biol. Chem., 291, 2016
1OVE
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BU of 1ove by Molmil
The structure of p38 alpha in complex with a dihydroquinolinone
分子名称: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14
著者Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
登録日2003-03-26
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
3CTM
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BU of 3ctm by Molmil
Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity
分子名称: Carbonyl Reductase
著者Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z.
登録日2008-04-14
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
4NJE
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BU of 4nje by Molmil
Crystal structure of Pyrococcus furiosus L-asparaginase with ligand
分子名称: ASPARTIC ACID, L-asparaginase
著者Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
登録日2013-11-09
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014

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