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7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
著者Cao, Y.L, Gu, D.D, Gao, S.
登録日2021-04-28
公開日2022-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55090284 Å)
主引用文献Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
3TWD
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BU of 3twd by Molmil
glmuC1 in complex with an antibacterial inhibitor
分子名称: 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid, Bifunctional protein glmU, SULFATE ION
著者Lahiri, S, Otterbein, L.
登録日2011-09-21
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献In Vitro Validation of Acetyltransferase Activity of GlmU as an Antibacterial Target in Haemophilus influenzae.
J.Biol.Chem., 286, 2011
5BNM
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BU of 5bnm by Molmil
E. coli FabH with Small Molecule Inhibitor 1
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, SULFATE ION, ...
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
5BNR
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BU of 5bnr by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
5BQS
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BU of 5bqs by Molmil
S. Pneumoniae Fabh with small molecule inhibitor 4
分子名称: 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SODIUM ION
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-29
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
分子名称: PHOSPHATE ION, Papain-like protease, ZINC ION
著者Liu, J, Wang, Y, Pan, L.
登録日2020-09-30
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
5BNS
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BU of 5bns by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
分子名称: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
著者Liu, J, Wang, Y, Xu, X, Pan, L.
登録日2021-02-08
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
分子名称: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
4R8M
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BU of 4r8m by Molmil
Human SIRT2 crystal structure in complex with BHJH-TM1
分子名称: BHJH-TM1 peptide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Teng, Y.B, Hao, Q, Lin, H.N, Jing, H.
登録日2014-09-02
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies
Sci Rep, 5, 2015
3NH7
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BU of 3nh7 by Molmil
Crystal structure of the neutralizing Fab fragment AbD1556 bound to the BMP type I receptor IA
分子名称: Antibody fragment Fab AbD1556, heavy chain, light chain, ...
著者Mueller, T.D, Harth, S, Sebald, W.
登録日2010-06-14
公開日2010-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A selection fit mechanism in BMP receptor IA as a possible source for BMP ligand-receptor promiscuity
Plos One, 5, 2010
2OZX
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BU of 2ozx by Molmil
Solution structure of human phosphohistidine phosphatase 1 in phosphate free form
分子名称: 14 kDa phosphohistidine phosphatase
著者Gong, W, Cui, G, Jin, C, Xia, B.
登録日2007-02-27
公開日2008-03-25
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
7VRB
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BU of 7vrb by Molmil
Structure of the Human BRG1/SS18 complex
分子名称: SMARCA4 protein,Protein SSXT
著者Cheng, Y, Chen, F, Zhou, H, Long, J.
登録日2021-10-22
公開日2022-05-25
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献Phase transition and remodeling complex assembly are important for SS18-SSX oncogenic activity in synovial sarcomas.
Nat Commun, 13, 2022
7E26
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BU of 7e26 by Molmil
Structure of PfFNT in apo state
分子名称: Formate-nitrite transporter
著者Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J.
登録日2021-02-04
公開日2021-08-18
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism.
Plos Biol., 19, 2021
7E27
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BU of 7e27 by Molmil
Structure of PfFNT in complex with MMV007839
分子名称: (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter
著者Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J.
登録日2021-02-04
公開日2021-08-18
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism.
Plos Biol., 19, 2021
7TUK
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BU of 7tuk by Molmil
Small hepatitis B virus surface protein without cytosolic and antigenic loops
分子名称: SAg protein
著者Liu, H, Wang, J.C.Y.
登録日2022-02-02
公開日2022-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
7TUL
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BU of 7tul by Molmil
Woodchuck hepatitis small surface protein without cytosolic and antigenic loops
分子名称: Large envelope protein
著者Liu, H, Wang, J.C.Y.
登録日2022-02-02
公開日2022-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
7V6P
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BU of 7v6p by Molmil
Crystal structure of human sNASP TPR domain
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Liu, C.P, Xu, R.M.
登録日2021-08-20
公開日2021-12-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Distinct histone H3-H4 binding modes of sNASP reveal the basis for cooperation and competition of histone chaperones.
Genes Dev., 35, 2021

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