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7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
分子名称: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
登録日2020-09-26
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
4UVE
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BU of 4uve by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 9
分子名称: 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UVG
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BU of 4uvg by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 15
分子名称: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
6XVT
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BU of 6xvt by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2
分子名称: ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Le Cong, K, Roske, Y.
登録日2020-01-22
公開日2020-03-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
8I54
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BU of 8i54 by Molmil
Lb2Cas12a RNA DNA complex
分子名称: DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ...
著者Li, J, Sivaraman, J, Satoru, M.
登録日2023-01-24
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
6XXR
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BU of 6xxr by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2
分子名称: Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog
著者Barone, M, Le Cong, K, Roske, Y.
登録日2020-01-28
公開日2020-11-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ELQ
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BU of 6elq by Molmil
Carbon Monoxide Dehydrogenase IV from Carboxydothermus hydrogenoformans
分子名称: Carbon Monoxide Dehydrogenase, FE(4)-NI(1)-S(5) CLUSTER with Oxygen, IRON/SULFUR CLUSTER
著者Domnik, L, Goetzl, S, Jeoung, J.H, Dobbek, H.
登録日2017-09-29
公開日2018-01-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2.
Angew. Chem. Int. Ed. Engl., 56, 2017
6ONS
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BU of 6ons by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated
分子名称: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER
著者Cohen, S.E, Wittenborn, E.C, Drennan, C.L.
登録日2019-04-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.485 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
4HWD
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BU of 4hwd by Molmil
Crystal structure of ATBAG2
分子名称: BAG family molecular chaperone regulator 2
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
4HWF
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BU of 4hwf by Molmil
Crystal structure of ATBAG3
分子名称: BAG family molecular chaperone regulator 3, SULFATE ION
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
4HWC
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BU of 4hwc by Molmil
Structure of ATBAG1
分子名称: BAG family molecular chaperone regulator 1, CHLORIDE ION
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
4HWH
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BU of 4hwh by Molmil
Crystal structure of ATBAG4
分子名称: ACETATE ION, BAG family molecular chaperone regulator 4, GLYCEROL, ...
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
4HWI
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BU of 4hwi by Molmil
Crystal structure of ATBAG1 in complex with HSP70
分子名称: BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
分子名称: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-31
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZY
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BU of 7qzy by Molmil
ATAD2 in complex with FragLite29
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
6LL9
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BU of 6ll9 by Molmil
Crystal structure of D-alanine-D-alanine ligase from Aeromonas hydrophila
分子名称: D-ALANINE, D-alanine--D-alanine ligase
著者Zhang, H.
登録日2019-12-22
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the Inhibition ofAeromonas hydrophilad-Alanine-d-Alanine Ligase by Integration of Kinetics and Structural Analysis.
J.Agric.Food Chem., 68, 2020
4UVI
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BU of 4uvi by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 23
分子名称: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
分子名称: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UVD
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BU of 4uvd by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 6
分子名称: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
7Z9I
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BU of 7z9i by Molmil
ATAD2 in complex with PepLite-Ala
分子名称: (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-21
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9U
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BU of 7z9u by Molmil
ATAD2 in complex with Acetyl-Lys
分子名称: (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-21
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZAA
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BU of 7zaa by Molmil
BRD4 in complex with FragLite11
分子名称: GLYCEROL, Isoform C of Bromodomain-containing protein 4, ~{N}-(4-bromophenyl)ethanamide
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-22
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZAJ
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BU of 7zaj by Molmil
BRD4 in complex with FragLite16
分子名称: 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-22
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZAT
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BU of 7zat by Molmil
BRD4 in complex with FragLite20
分子名称: 4-bromanyl-2-(methoxymethyl)pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-22
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9N
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BU of 7z9n by Molmil
ATAD2 in complex with PepLite-Val
分子名称: (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-03-21
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022

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件を2024-08-28に公開中

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