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6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-30
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
7S3V
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BU of 7s3v by Molmil
Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine
分子名称: Kynureninase
著者Burkholder, N.T, Zhang, Y.J.
登録日2021-09-08
公開日2022-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.249 Å)
主引用文献Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme.
Nat Catal, 5, 2022
6GYT
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BU of 6gyt by Molmil
Transcription factor dimerization activates the p300 acetyltransferase
分子名称: Histone H4, Histone acetyltransferase p300, ZINC ION
著者Panne, D, Ortega, E.
登録日2018-07-01
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Transcription factor dimerization activates the p300 acetyltransferase.
Nature, 562, 2018
6KKS
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BU of 6kks by Molmil
Structural insights into target DNA recognition by R2R3-type MYB transcription factor
分子名称: DNA (5'-D(*AP*AP*AP*TP*TP*CP*TP*CP*CP*AP*AP*CP*CP*GP*CP*AP*TP*TP*TP*TP*C)-3'), DNA (5'-D(*CP*GP*AP*AP*AP*AP*TP*GP*CP*GP*GP*TP*TP*GP*GP*AP*GP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
著者Wang, B, Luo, Q.
登録日2019-07-27
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into target DNA recognition by R2R3-MYB transcription factors.
Nucleic Acids Res., 48, 2020
7BP4
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Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASP-ASP-ASP-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP6
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BU of 7bp6 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: Histone H2A.6, Histone H2B.1, NRP1-CTAD
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP2
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BU of 7bp2 by Molmil
Structural mechanism directing nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP5
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Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASN-ASP-PRO-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
5K4Z
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BU of 5k4z by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 6
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-05-22
公開日2016-10-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
5K4X
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M. thermoresistible IMPDH in complex with IMP and Compound 1
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-05-22
公開日2016-10-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
3Q96
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BU of 3q96 by Molmil
B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
分子名称: (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf
著者Sintchak, M.D, Aertgeerts, K, Yano, J.
登録日2011-01-07
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
8H8C
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BU of 8h8c by Molmil
Type VI secretion system effector RhsP in its post-autoproteolysis and dimeric form
分子名称: C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein
著者Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
登録日2022-10-22
公開日2023-01-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
8H8B
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BU of 8h8b by Molmil
Type VI secretion system effector RhsP in its pre-autoproteolysis and monomeric form
分子名称: Putative Rhs-family protein
著者Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
登録日2022-10-22
公開日2023-01-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
8H8A
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BU of 8h8a by Molmil
Type VI secretion system effector RhsP in its post-autoproteolysis and monomeric form
分子名称: C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein
著者Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
登録日2022-10-22
公開日2023-01-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
6GYR
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BU of 6gyr by Molmil
Transcription factor dimerization activates the p300 acetyltransferase
分子名称: Histone acetyltransferase p300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
著者Panne, D, Ortega, E.
登録日2018-07-01
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Transcription factor dimerization activates the p300 acetyltransferase.
Nature, 562, 2018
5U94
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BU of 5u94 by Molmil
Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693.
分子名称: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, GLYCEROL, MAGNESIUM ION, ...
著者Wlodarchak, N, Satyshur, K, Striker, R.
登録日2016-12-15
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth.
Mol. Pharm., 15, 2018
7C7X
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BU of 7c7x by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-05-27
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
2JL4
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BU of 2jl4 by Molmil
Holo structure of Maleyl Pyruvate Isomerase, a bacterial glutathione- s-transferase in Zeta class
分子名称: GLUTATHIONE, MALEYLPYRUVATE ISOMERASE
著者Shoemark, D.K, Y Zhou, N, Williams, P.A, Hadfield, A.T.
登録日2008-09-04
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
2AUC
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BU of 2auc by Molmil
Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor
分子名称: Myosin A, Myosin A Tail Interacting Protein
著者Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-08-27
公開日2006-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5W0T
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BU of 5w0t by Molmil
Crystal structure of monomeric Msp1 from S. cerevisiae
分子名称: 1,2-ETHANEDIOL, Protein MSP1
著者Keenan, R.J, Wohlever, M.L, Mateja, A.M.
登録日2017-05-31
公開日2017-08-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Msp1 Is a Membrane Protein Dislocase for Tail-Anchored Proteins.
Mol. Cell, 67, 2017
1ZDJ
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BU of 1zdj by Molmil
STRUCTURE OF BACTERIOPHAGE COAT PROTEIN-LOOP RNA COMPLEX
分子名称: PROTEIN (MS2 PROTEIN CAPSID), RNA (5'-R(*GP*GP*AP*UP*CP*AP*CP*C)-3')
著者Grahn, E, Stonehouse, N, Valegard, K, Vandenworm, S, Liljas, L.
登録日1997-12-18
公開日1998-07-08
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic studies of RNA hairpins in complexes with recombinant MS2 capsids: implications for binding requirements.
RNA, 5, 1999
1AQ3
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BACTERIOPHAGE MS2 CAPSID PROTEIN/RNA COMPLEX
分子名称: PROTEIN (BACTERIOPHAGE MS2 COAT PROTEIN), RNA (5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3')
著者Van Den Worm, S, Stonehouse, N, Valegard, K, Liljas, L.
登録日1997-08-06
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of MS2 coat protein mutants in complex with wild-type RNA operator fragments.
Nucleic Acids Res., 26, 1998
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