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3CBO
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BU of 3cbo by Molmil
SET7/9-ER-AdoHcy complex
分子名称: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
著者Cheng, X, Jia, D.
登録日2008-02-22
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
分子名称: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
著者Cheng, X, Jia, D.
登録日2008-02-22
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
分子名称: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
著者Raman, K, Yarlagadda, B.
登録日2007-02-13
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
7SFR
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BU of 7sfr by Molmil
Unmethylated Mtb Ribosome 50S with SEQ-9
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC)
登録日2021-10-04
公開日2022-10-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AZO
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BU of 7azo by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
分子名称: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
著者Jenner, L.B, Yusupov, M, Yusupova, G.
登録日2020-11-17
公開日2022-06-01
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
分子名称: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
著者Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
登録日2020-11-17
公開日2022-06-08
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7KGB
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BU of 7kgb by Molmil
CryoEM structure of A2296-methylated Mycobacterium tuberculosis ribosome bound with SEQ-9
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2020-10-16
公開日2022-01-19
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 2023
5BX0
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BU of 5bx0 by Molmil
An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, ethyl 2H-indazole-5-carboxylate
著者Vallee, F, Steier, V, Rak, A.
登録日2015-06-08
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery.
J Biomol Screen, 21, 2016
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
分子名称: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
分子名称: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-22
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
1BAG
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BU of 1bag by Molmil
ALPHA-AMYLASE FROM BACILLUS SUBTILIS COMPLEXED WITH MALTOPENTAOSE
分子名称: ALPHA-1,4-GLUCAN-4-GLUCANOHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Fujimoto, Z, Mizuno, H, Takase, K, Doui, N.
登録日1998-01-30
公開日1998-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a catalytic-site mutant alpha-amylase from Bacillus subtilis complexed with maltopentaose.
J.Mol.Biol., 277, 1998
1UA7
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BU of 1ua7 by Molmil
Crystal Structure Analysis of Alpha-Amylase from Bacillus Subtilis complexed with Acarbose
分子名称: 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha-amylase, ...
著者Kagawa, M, Fujimoto, Z, Momma, M, Takase, K, Mizuno, H.
登録日2003-03-03
公開日2004-05-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of Bacillus subtilis alpha-amylase in complex with acarbose
J.BACTERIOL., 185, 2003
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
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, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
7KMH
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BU of 7kmh by Molmil
LY-CoV488 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMI
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BU of 7kmi by Molmil
LY-CoV481 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
分子名称: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
7K9Z
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BU of 7k9z by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ...
著者Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P.
登録日2020-09-29
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014

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