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7X0T
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BU of 7x0t by Molmil
Cryo-EM structure of human ABCD1 E630Q in the presence of C26:0-CoA and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 1, OCTANOYL-COENZYME A
著者Chao, X, Li-Na, J, Lin, T.
登録日2022-02-22
公開日2023-03-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
7X0Z
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Cryo-EM structure of human ABCD1 E630Q in the presence of ATP and Magnesium in outward-facing state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 1, MAGNESIUM ION
著者Chao, X, Li-Na, J, Lin, T.
登録日2022-02-22
公開日2023-03-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
7X07
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BU of 7x07 by Molmil
Cryo-EM structure of human ABCD1 in the presence of C26:0
分子名称: ATP-binding cassette sub-family D member 1, hexacosanoic acid
著者Chao, X, Li-Na, J, Lin, T.
登録日2022-02-21
公開日2023-03-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
7XEC
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BU of 7xec by Molmil
Cryo-EM structure of human ABCD1 E630Q in the presence of ATP in inward-facing state 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 1
著者Chao, X, Li-Na, J, Lin, T.
登録日2022-03-30
公開日2023-03-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
7X1W
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BU of 7x1w by Molmil
Cryo-EM structure of human ABCD1 E630Q in the presence of ATP in inward-facing state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 1
著者Chao, X, Li-Na, J, Lin, T.
登録日2022-02-24
公開日2023-03-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
4R3M
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BU of 4r3m by Molmil
Crystal structure of Human Hsp90 with JR9
分子名称: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
著者Li, J, Yang, M, Ren, J, Xiong, B, He, J.
登録日2014-08-16
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
1PU4
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BU of 1pu4 by Molmil
Crystal structure of human vascular adhesion protein-1
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, CALCIUM ION, ...
著者Salminen, T.A, Airenne, T.T.
登録日2003-06-24
公開日2005-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications.
Protein Sci., 14, 2005
1M1C
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BU of 1m1c by Molmil
Structure of the L-A virus
分子名称: Major coat protein
著者Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E.
登録日2002-06-18
公開日2002-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism.
Nat.Struct.Biol., 9, 2002
3LZE
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BU of 3lze by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant
分子名称: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-03-01
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
2MB9
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BU of 2mb9 by Molmil
Human Bcl10 CARD
分子名称: B-cell lymphoma/leukemia 10
著者Zheng, C, Bracken, C, Wu, H.
登録日2013-07-26
公開日2013-10-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
7JNI
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BU of 7jni by Molmil
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ...
著者Cherezov, V, Shaye, H, Han, G.W.
登録日2020-08-04
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
7AUV
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BU of 7auv by Molmil
The structure of ERK2 in complex with dual inhibitor ASTX029
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2020-11-03
公開日2021-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
7XUP
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BU of 7xup by Molmil
Crystal structure of TPe3.0
分子名称: Transcriptional regulator, PadR-like family
著者Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
登録日2022-05-19
公開日2022-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7XUQ
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BU of 7xuq by Molmil
Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
分子名称: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
著者Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
登録日2022-05-19
公開日2022-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
1D5L
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BU of 1d5l by Molmil
CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Fiedler, T.J, Davey, C.A, Fenna, R.E.
登録日1999-10-07
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1CXP
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CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Fiedler, T.J, Fenna, R.E.
登録日1999-08-30
公開日2000-04-24
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 and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
3Q01
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BU of 3q01 by Molmil
An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
分子名称: Cellular tumor antigen p53, ZINC ION
著者Petty, T.J, Halazonetis, T.D.
登録日2010-12-15
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
3OQ1
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BU of 3oq1 by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor
分子名称: 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2010-09-02
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
1D7W
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BU of 1d7w by Molmil
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
著者Fiedler, T.J, Fenna, R.E.
登録日1999-10-20
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
3M4P
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BU of 3m4p by Molmil
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) in complex with asparaginyl-adenylate
分子名称: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparaginyl-tRNA synthetase, putative, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-03-11
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
3Q05
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BU of 3q05 by Molmil
An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
分子名称: Cellular tumor antigen p53, DNA (26-MER), ZINC ION
著者Petty, T.J, Halazonetis, T.D.
登録日2010-12-15
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
7MB9
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BU of 7mb9 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
分子名称: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
分子名称: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB4
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
分子名称: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB8
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
分子名称: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022

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