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8HIJ
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BU of 8hij by Molmil
The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8WKT
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BU of 8wkt by Molmil
Cryo-EM structure of DSR2-DSAD1 complex
分子名称: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8WKX
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BU of 8wkx by Molmil
Cryo-EM structure of DSR2
分子名称: SIR2-like domain-containing protein
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8WKS
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BU of 8wks by Molmil
Cryo-EM structure of DSR2-TUBE complex
分子名称: SIR2-like domain-containing protein, TUBE
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8W9W
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BU of 8w9w by Molmil
The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-09-06
公開日2024-02-28
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
8W9Y
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BU of 8w9y by Molmil
The cryo-EM structure of human sphingomyelin synthase-related protein
分子名称: Sphingomyelin synthase-related protein 1
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-09-06
公開日2024-02-28
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
3W3C
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BU of 3w3c by Molmil
Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb promoter
分子名称: DNA (26-MER), Virulence regulon transcriptional activator VirB
著者Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S.
登録日2012-12-19
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.431 Å)
主引用文献Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
3E5A
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BU of 3e5a by Molmil
Crystal structure of Aurora A in complex with VX-680 and TPX2
分子名称: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ...
著者Zhao, B, Smallwood, A, Lai, Z.
登録日2008-08-13
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
1PSJ
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BU of 1psj by Molmil
ACIDIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Wang, X.Q, Lin, Z.J.
登録日1995-05-24
公開日1996-07-11
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of an acidic phospholipase A2 from the venom of Agkistrodon halys pallas at 2.0 A resolution.
J.Mol.Biol., 255, 1996
2KQB
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BU of 2kqb by Molmil
First PBZ domain of human APLF protein
分子名称: Aprataxin and PNK-like factor, ZINC ION
著者Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
登録日2009-11-04
公開日2010-01-19
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2KQC
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BU of 2kqc by Molmil
Second PBZ domain of human APLF protein
分子名称: Aprataxin and PNK-like factor, ZINC ION
著者Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
登録日2009-11-04
公開日2010-01-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2KQE
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BU of 2kqe by Molmil
Second PBZ domain of human APLF protein in complex with ribofuranosyladenosine
分子名称: ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ...
著者Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
登録日2009-11-04
公開日2010-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-26
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-27
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4IVB
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BU of 4ivb by Molmil
JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE
分子名称: Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
著者Eigenbrot, C, Steffek, M.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
5JYC
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BU of 5jyc by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate
分子名称: (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-05-13
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
分子名称: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Zhang, R.
登録日2015-05-06
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
分子名称: MM-402, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
6JBR
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BU of 6jbr by Molmil
Tps1/UDP/T6P complex
分子名称: 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
4IVD
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BU of 4ivd by Molmil
JAK1 kinase (JH1 domain) in complex with compound 34
分子名称: 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
6IR8
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BU of 6ir8 by Molmil
Rice WRKY/DNA complex
分子名称: DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ...
著者Liu, J, Cheng, X, Wang, D.
登録日2018-11-12
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
4I6L
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BU of 4i6l by Molmil
Crystal structure of OTUB1 in complex with ubiquitin variant
分子名称: Ubiquitin, Ubiquitin thioesterase OTUB1
著者Juang, Y.C, Sicheri, F.
登録日2012-11-29
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
分子名称: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
分子名称: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
4IVA
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BU of 4iva by Molmil
JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
分子名称: Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013

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