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6QXG
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BU of 6qxg by Molmil
Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with FdUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
著者Pozzi, C, Mangani, M.
登録日2019-03-07
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Molecules, 24, 2019
6QXS
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BU of 6qxs by Molmil
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Pozzi, C, Mangani, M.
登録日2019-03-07
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Molecules, 24, 2019
2LWT
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BU of 2lwt by Molmil
NMR solution structure of PawS Derived Peptide 5 (PDP-5)
分子名称: PawS Derived Peptide 5 (PDP-5)
著者Elliott, A.G, Mylne, J.S, Rosengren, K.
登録日2012-08-06
公開日2013-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Evolutionary origins of a bioactive peptide buried within Preproalbumin.
Plant Cell, 26, 2014
2M0X
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BU of 2m0x by Molmil
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
分子名称: engineered ubiquitin variant
著者Phillips, A.H, Fairbrother, W.J, Corn, J.E.
登録日2012-11-08
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
6RAO
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BU of 6rao by Molmil
Cryo-EM structure of the anti-feeding prophage (AFP) baseplate, 6-fold symmetrised
分子名称: Afp1, Afp11, Afp12, ...
著者Desfosses, A.
登録日2019-04-06
公開日2019-04-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of an entire contractile injection system in both the extended and contracted states.
Nat Microbiol, 4, 2019
4DOI
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BU of 4doi by Molmil
Crystal structure of Arabidopsis thaliana chalcone isomerase At3g55120 (AtCHI)
分子名称: Chalcone--flavonone isomerase 1, NITRATE ION
著者Noel, J.P, Louie, G.V, Bowman, M.E.
登録日2012-02-09
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis.
Nature, 485, 2012
4GLG
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BU of 4glg by Molmil
DNA dodecamer containing 5-methyl cytosine
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5CM)P*GP*CP*G)-3')
著者Spingler, B, Renciuk, D, Vorlickova, M.
登録日2012-08-14
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
2JI5
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BU of 2ji5 by Molmil
Structure of UMP kinase from Pyrococcus furiosus complexed with UTP
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDYLATE KINASE
著者Marco-Marin, C, Rubio, V.
登録日2007-02-26
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Structure of Ump Kinase from Pyrococcus Furiosus Complexed with Utp
To be Published
6RGL
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BU of 6rgl by Molmil
Cryo-EM structure of the anti-feeding prophage (AFP) baseplate in contracted state
分子名称: Afp2, Afp3, Afp4
著者Desfosses, A.
登録日2019-04-16
公開日2019-04-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Atomic structures of an entire contractile injection system in both the extended and contracted states.
Nat Microbiol, 4, 2019
2IDJ
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BU of 2idj by Molmil
Crystal Structure of Rat Glycine N-Methyltransferase Apoprotein, Monoclinic Form
分子名称: CALCIUM ION, Glycine N-methyltransferase
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Egli, M, Newcomer, M.E, Wagner, C.
登録日2006-09-15
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献5-methyltetrahydrofolate is bound in intersubunit areas of rat liver folate-binding protein glycine N-methyltransferase.
J.Biol.Chem., 282, 2007
6RW0
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BU of 6rw0 by Molmil
Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase
分子名称: GLYCEROL, MAGNESIUM ION, POTASSIUM ION, ...
著者Kroupova, A, Jinek, M.
登録日2019-06-03
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity.
Science, 369, 2020
6Q3F
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BU of 6q3f by Molmil
CDK2 in complex with FragLite2
分子名称: 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-04
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
4FIQ
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BU of 4fiq by Molmil
Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus horikoshii
分子名称: Pyridoxal biosynthesis lyase pdxS
著者Matsuura, A, Yoon, J.Y, Yoon, H.J, Lee, H.H, Suh, S.W.
登録日2012-06-11
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus horikoshii.
Mol.Cells, 34, 2012
6QF8
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BU of 6qf8 by Molmil
Solution NMR ensemble for human ubiquitin at 298K compiled using the CoMAND method
分子名称: Polyubiquitin-B
著者ElGamacy, M, Truffault, V, Zhu, H, Coles, M.
登録日2019-01-09
公開日2019-04-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
2IDK
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BU of 2idk by Molmil
Crystal Structure of Rat Glycine N-Methyltransferase Complexed With Folate
分子名称: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Glycine N-methyltransferase
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Egli, M, Newcomer, M.E, Wagner, C.
登録日2006-09-15
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献5-methyltetrahydrofolate is bound in intersubunit areas of rat liver folate-binding protein glycine N-methyltransferase.
J.Biol.Chem., 282, 2007
4FIR
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BU of 4fir by Molmil
Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus
分子名称: Pyridoxal biosynthesis lyase pdxS, RIBOSE-5-PHOSPHATE
著者Matsuura, A, Yoon, J.Y, Yoon, H.J, Lee, H.H, Suh, S.W.
登録日2012-06-11
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus horikoshii.
Mol.Cells, 34, 2012
6Q4D
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BU of 6q4d by Molmil
CDK2 in complex with FragLite31
分子名称: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
4GLC
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BU of 4glc by Molmil
DNA dodecamer containing 5-hydroxymethyl-cytosine
分子名称: DNA (5'-D(*CP*GP*(5HC)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Spingler, B, Renciuk, D, Vorlickova, M.
登録日2012-08-14
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
6Q4C
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BU of 6q4c by Molmil
CDK2 in complex with FragLite16
分子名称: 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q4F
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BU of 6q4f by Molmil
CDK2 in complex with FragLite32
分子名称: Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q0V
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BU of 6q0v by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to tasisulam and RBM39
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
著者Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
登録日2019-08-02
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6Q4A
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BU of 6q4a by Molmil
CDK2 in complex with FragLite14
分子名称: 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q4I
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BU of 6q4i by Molmil
CDK2 in complex with FragLite35
分子名称: 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
2M07
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BU of 2m07 by Molmil
NMR structure of OmpX in DPC micelles
分子名称: Outer membrane protein X
著者Hagn, F.X, Etzkorn, M, Raschle, T, Wagner, G, Membrane Protein Structures by Solution NMR (MPSbyNMR)
登録日2012-10-21
公開日2012-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins.
J.Am.Chem.Soc., 135, 2013
4EAM
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BU of 4eam by Molmil
1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ...
著者Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
登録日2012-03-22
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012

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