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1VEY
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BU of 1vey by Molmil
Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.0
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peptide deformylase, ZINC ION
著者Zhou, Z, Song, X, Li, Y, Gong, W.
登録日2004-04-06
公開日2005-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift
J.Biol.Chem., 280, 2005
1VEZ
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BU of 1vez by Molmil
Crystal Structure of Peptide Deformylase from Leptospira Interrogans(LiPDF) at pH8.0
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Peptide deformylase, ...
著者Zhou, Z, Song, X, Li, Y, Gong, W.
登録日2004-04-06
公開日2005-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift
J.Biol.Chem., 280, 2005
2JIV
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BU of 2jiv by Molmil
Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272
分子名称: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
著者Yun, C.-H, Mengwasser, K.E, Toms, A.V, Li, Y, Woo, M.S, Greulich, H, Wong, K.-K, Meyerson, M, Eck, M.J.
登録日2007-07-02
公開日2008-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The T790M Mutation in Egfr Kinase Causes Drug Resistance by Increasing the Affinity for ATP.
Proc.Natl.Acad.Sci.USA, 105, 2008
2KFV
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BU of 2kfv by Molmil
Structure of the amino-terminal domain of human FK506-binding protein 3 / Northeast Structural Genomics Consortium Target HT99A
分子名称: FK506-binding protein 3
著者Sunnerhagen, M, Davis, T, Gutmanas, A, Fares, C, Ouyang, H, Lemak, A, Li, Y, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C.H, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-06-23
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structure of the N-terminal domain of FK506-binding protein 3
To be Published
7VCQ
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BU of 7vcq by Molmil
structure of viral protein BKRF4 in complex with H3.3-H4-ASF1
分子名称: Histone H3.3, Histone H4, Histone chaperone ASF1B, ...
著者Liu, Y.R.
登録日2021-09-03
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Epstein-Barr Virus Tegument Protein BKRF4 is a Histone Chaperone.
J.Mol.Biol., 434, 2022
7VCL
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BU of 7vcl by Molmil
structure of viral protein BKRF4 in complex with H2A-H2B
分子名称: Tegument protein BKRF4, histone H2A-H2B
著者Liu, Y.R.
登録日2021-09-03
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Epstein-Barr Virus Tegument Protein BKRF4 is a Histone Chaperone.
J.Mol.Biol., 434, 2022
7Y8F
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BU of 7y8f by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
7Y8G
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BU of 7y8g by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
4E4K
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BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
2H8R
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BU of 2h8r by Molmil
Hepatocyte Nuclear Factor 1b bound to DNA: MODY5 Gene Product
分子名称: 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*G)-3', 5'-D(*GP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3', Hepatocyte nuclear factor 1-beta
著者Lu, P, Rha, G.B, Chi, Y.I.
登録日2006-06-07
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of disease-causing mutations in hepatocyte nuclear factor 1beta.
Biochemistry, 46, 2007
7VHR
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BU of 7vhr by Molmil
Apostichopus japonicus ferritin
分子名称: Ferritin, MAGNESIUM ION
著者Wu, Y, Su, X.R, Ming, T.H.
登録日2021-09-22
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.756 Å)
主引用文献Crystallographic characterization of a marine invertebrate ferritin from the sea cucumber Apostichopus japonicus.
Febs Open Bio, 12, 2022
3O6O
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BU of 3o6o by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-07-29
公開日2010-08-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3OMU
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BU of 3omu by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative
分子名称: 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-08-27
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-05-17
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
3OPD
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BU of 3opd by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative
分子名称: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83
著者Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-08-31
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3QWP
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BU of 3qwp by Molmil
Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ...
著者Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-02-28
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3
To be Published
6AOG
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BU of 6aog by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ...
著者Thomas, S.B, Li, Y, Chen, Z, Lu, H.
登録日2017-08-16
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
7VZB
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BU of 7vzb by Molmil
Cryo-EM structure of C22:0-CoA bound human very long-chain fatty acid ABC transporter ABCD1
分子名称: CHOLESTEROL HEMISUCCINATE, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate
著者Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z.
登録日2021-11-15
公開日2022-05-18
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
6I5Z
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Papaver somniferum O-methyltransferase
分子名称: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE
著者Davies, G.J, Cabry, M.P, Offen, W.A.
登録日2018-11-15
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
7VX8
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BU of 7vx8 by Molmil
Cryo-EM structure of ATP-bound human very long-chain fatty acid ABC transporter ABCD1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1
著者Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z.
登録日2021-11-12
公開日2022-05-18
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
7VWC
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BU of 7vwc by Molmil
Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1
分子名称: Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate
著者Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z.
登録日2021-11-10
公開日2022-05-18
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
7V4Q
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The crystal structure of the apo form of KFDV NS3H
分子名称: Serine protease NS3
著者Zhang, C.Y, Jin, T.C.
登録日2021-08-14
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Kyasanur Forest disease virus NS3 helicase: Insights into structure, activity, and inhibitors.
Int.J.Biol.Macromol., 2023
6AOH
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BU of 6aoh by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ...
著者Thomas, S.B, Li, Y, Chen, Z, Lu, H.
登録日2017-08-16
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
6IXQ
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BU of 6ixq by Molmil
Structure of Myo2-GTD in complex with Smy1
分子名称: Kinesin-related protein SMY1, Myosin-2
著者Tang, K, Wei, Z.
登録日2018-12-11
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural mechanism for versatile cargo recognition by the yeast class V myosin Myo2.
J.Biol.Chem., 294, 2019

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