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PDB: 246 件
7OT6
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282
分子名称: (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine, DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OXQ
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Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 048 at the transient P-pocket.
分子名称: 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CADMIUM ION, DNA (28-MER), ...
著者Martinez, S.E, Singh, A.K, Das, K.
登録日2021-06-22
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OUT
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264
分子名称: (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-13
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTK
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BU of 7otk by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233
分子名称: (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OZ5
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Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 166 at the transient P-pocket.
分子名称: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, CADMIUM ION, DNA (28-MER), ...
著者Martinez, S.E, Singh, A.K, Das, K.
登録日2021-06-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OTA
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BU of 7ota by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230
分子名称: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTN
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247
分子名称: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OZ2
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BU of 7oz2 by Molmil
Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket
分子名称: CADMIUM ION, DNA (28-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Das, K.
登録日2021-06-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OTZ
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BU of 7otz by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259
分子名称: (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
5L1H
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BU of 5l1h by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor GYKI53655
分子名称: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.801 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5L1B
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BU of 5l1b by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in Apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-28
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5L1F
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BU of 5l1f by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor Perampanel
分子名称: 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5L1E
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BU of 5l1e by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor CP465022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.37 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5L1G
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BU of 5l1g by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with GYKI-Br
分子名称: (8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.507 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5G5O
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BU of 5g5o by Molmil
Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, native
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J.
登録日2016-05-26
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid.
Structure, 25, 2017
5G62
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BU of 5g62 by Molmil
S.pneumoniae ABC-transporter substrate binding protein FusA EF-hand mutant in complex with fructo-nystose
分子名称: ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ...
著者Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A.
登録日2016-06-10
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae.
Structure, 25, 2017
5G5N
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Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, methylmercury chloride derivative
分子名称: CHLORIDE ION, GLYCEROL, LH3 HEXON-INTERLACING CAPSID PROTEIN, ...
著者Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J.
登録日2016-05-26
公開日2017-06-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid.
Structure, 25, 2017
5G61
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BU of 5g61 by Molmil
S.pneumoniae ABC-transporter substrate binding protein FusA in complex with fructo-nystose
分子名称: ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ...
著者Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A.
登録日2016-06-10
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae.
Structure, 25, 2017
5G5Z
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BU of 5g5z by Molmil
S.pneumoniae ABC-transporter substrate binding protein FusA in complex with kestose
分子名称: ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ...
著者Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A.
登録日2016-06-10
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae.
Structure, 25, 2017
5G60
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BU of 5g60 by Molmil
S.pneumoniae ABC-transporter substrate binding protein FusA in complex with nystose
分子名称: ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ...
著者Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A.
登録日2016-06-10
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae.
Structure, 25, 2017
4QJQ
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BU of 4qjq by Molmil
Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, ...
著者Singh, R.P, Kushwaha, G.S, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-06-04
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution
To be Published
3ERH
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BU of 3erh by Molmil
First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
著者Sheikh, I.A, Singh, N, Singh, A.K, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2008-10-02
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION
J.Biol.Chem., 284, 2009
6FQ4
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BU of 6fq4 by Molmil
Structure of Chlamydial virulence factor TarP and vinculin head domain
分子名称: TarP-VBS1, Vinculin
著者Whitewood, A.J, Singh, A.K, Brown, D.G, Goult, B.T.
登録日2018-02-13
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Chlamydial virulence factor TarP mimics talin to disrupt the talin-vinculin complex.
FEBS Lett., 592, 2018
4GM7
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BU of 4gm7 by Molmil
Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution.
分子名称: 1,2-ETHANEDIOL, 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Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-08-15
公開日2012-09-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution
To be Published
4ZU6
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BU of 4zu6 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha-aminoacrylate reaction intermediate and Peptide inhibitor at the resolution of 2.25A
分子名称: C-terminal peptide from Serine acetyltransferase, Cysteine synthase, O-ACETYLSERINE, ...
著者Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S.
登録日2015-05-15
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with pre-reactive o-acetyl serine and peptide inhibitor
To Be Published

224004

件を2024-08-21に公開中

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