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7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
分子名称: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
著者Narayanan, N, Nair, D.T.
登録日2022-02-10
公開日2022-12-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022
2IQG
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BU of 2iqg by Molmil
Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE)
分子名称: Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
著者Benson, T.E, Woods, D.D, Prince, D.B, Tomasselli, A.G, Emmons, T.L.
登録日2006-10-13
公開日2007-02-27
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase.
J.Med.Chem., 50, 2007
1PPF
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BU of 1ppf by Molmil
X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR
分子名称: HUMAN LEUKOCYTE ELASTASE, TURKEY OVOMUCOID INHIBITOR (OMTKY3), alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bode, W, Wei, A-Z.
登録日1991-10-24
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor.
EMBO J., 5, 1986
3NSH
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BU of 3nsh by Molmil
BACE-1 in complex with ELN475957
分子名称: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
著者Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N.
登録日2010-07-01
公開日2010-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.
Bioorg.Med.Chem.Lett., 20, 2010
3IVH
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BU of 3ivh by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3IVI
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BU of 3ivi by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ...
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
4RBT
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BU of 4rbt by Molmil
PduA K26A S40L mutant, from Salmonella enterica serovar Typhimurium LT2
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2014-09-12
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RBV
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BU of 4rbv by Molmil
PduA K26A S40GSG mutant, from Salmonella enterica serovar Typhimurium LT2
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2014-09-13
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RBU
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BU of 4rbu by Molmil
PduA K26A S40Q mutant, from Salmonella enterica serovar Typhimurium LT2
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2014-09-13
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QIG
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BU of 4qig by Molmil
Crystal Structure of PduA with edge mutation K26A and pore mutation S40C
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Pang, A.H, Sawaya, M.R, Yeates, T.O.
登録日2014-05-30
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.297 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QIF
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BU of 4qif by Molmil
Crystal Structure of PduA with edge mutation K26A and pore mutation S40H
分子名称: D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ...
著者Pang, A.H, Sawaya, M.R, Yeates, T.O.
登録日2014-05-30
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9951 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
3N4L
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BU of 3n4l by Molmil
BACE-1 in complex with ELN380842
分子名称: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
著者Yao, N.H.
登録日2010-05-21
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.
Bioorg.Med.Chem.Lett., 20, 2010
2DTW
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BU of 2dtw by Molmil
Crystal Structure of basic winged bean lectin in complex with 2Me-O-D-Galactose
分子名称: 2-O-methyl-alpha-D-galactopyranose, 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Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2006-07-18
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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