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7Q7S
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BU of 7q7s by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-11-09
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
3LPL
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BU of 3lpl by Molmil
E. coli pyruvate dehydrogenase complex E1 component E571A mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Furey, W.
登録日2010-02-05
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
6P0T
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BU of 6p0t by Molmil
Crystal structure of ternary DNA complex "FX(1-2)-1Xis" containing E. coli Fis and phage lambda Xis
分子名称: DNA (27-MER), FX1-2, DNA-binding protein Fis, ...
著者Hancock, S.P, Cascio, D, Johnson, R.C.
登録日2019-05-17
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.603 Å)
主引用文献Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
6YJF
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BU of 6yjf by Molmil
Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5
分子名称: (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase
著者Hyvonen, M, Brear, P, Blaszczyk, B.K.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
3CQR
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BU of 3cqr by Molmil
Crystal Structure of the Lipocalin domain of Violaxanthin de-epoxidase (VDE) at pH5
分子名称: GADOLINIUM ATOM, Violaxanthin de-epoxidase, chloroplast
著者Arnoux, P, Morosinotto, T, Pignol, D.
登録日2008-04-03
公開日2009-04-21
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural basis for the pH-dependent xanthophyll cycle in Arabidopsis thaliana.
Plant Cell, 21, 2009
6OZX
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BU of 6ozx by Molmil
Wild type GapR crystal structure 1 from C. crescentus
分子名称: UPF0335 protein CC_3319
著者Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M.
登録日2019-05-16
公開日2019-11-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
6P4A
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BU of 6p4a by Molmil
HyHEL10 Fab complexed with hen egg lysozyme carrying two mutations (HEL2x-rigid): R21Q and R73E
分子名称: HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, Lysozyme C
著者Langley, D.B, Christ, D.
登録日2019-05-27
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
3CWW
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BU of 3cww by Molmil
Crystal Structure of IDE-bradykinin complex
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ...
著者Malito, E, Tang, W.J.
登録日2008-04-23
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme
Biochemistry, 47, 2008
3LC5
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BU of 3lc5 by Molmil
Selective Benzothiophine Inhibitors of Factor IXa
分子名称: 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX
著者Wang, S, Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.
J.Med.Chem., 53, 2010
3DWO
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BU of 3dwo by Molmil
Crystal structure of a Pseudomonas aeruginosa FadL homologue
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Probable outer membrane protein, SULFATE ION
著者Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B.
登録日2008-07-22
公開日2008-12-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Transmembrane passage of hydrophobic compounds through a protein channel wall.
Nature, 458, 2009
3LDM
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BU of 3ldm by Molmil
Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding
分子名称: Pancreatic trypsin inhibitor
著者Yang, I.S, Kim, T.G, Park, B.S, Kim, K.H.
登録日2010-01-13
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of aprotinin and its complex with sucrose octasulfate reveal multiple modes of interactions with implications for heparin binding.
Biochem.Biophys.Res.Commun., 2010
3DKS
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BU of 3dks by Molmil
DsbA substrate complex
分子名称: Thiol:disulfide interchange protein dsbA, siga peptide
著者Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J.
登録日2008-06-25
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
3DI3
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BU of 3di3 by Molmil
Crystal structure of the complex of human interleukin-7 with glycosylated human interleukin-7 receptor alpha ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-7, Interleukin-7 receptor subunit alpha
著者McElroy, C.A, Dohm, J.A, Walsh, S.T.R.
登録日2008-06-19
公開日2009-01-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Biophysical Studies of the Human IL-7/IL-7Ralpha Complex.
Structure, 17, 2009
6EYC
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BU of 6eyc by Molmil
Re-refinement of the MCM2-7 double hexamer using ISOLDE
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Croll, T.I.
登録日2017-11-11
公開日2018-06-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps.
Acta Crystallogr D Struct Biol, 74, 2018
3LLY
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BU of 3lly by Molmil
Crystal Structure Analysis of Maclura pomifera agglutinin
分子名称: Agglutinin alpha chain, Agglutinin beta-2 chain
著者Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M.
登録日2010-01-29
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
6P8C
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BU of 6p8c by Molmil
2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
分子名称: 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ...
著者Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S.
登録日2019-06-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
To Be Published
3LLZ
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BU of 3llz by Molmil
Crystal Structure Analysis of Maclura pomifera agglutinin complex with Gal-beta-1,3-GalNAc
分子名称: Agglutinin alpha chain, Agglutinin beta-2 chain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M.
登録日2010-01-29
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
3LMO
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BU of 3lmo by Molmil
Crystal Structure of specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
分子名称: Specialized acyl carrier protein
著者Forouhar, F, Rossi, P, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-01-31
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
3LYU
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BU of 3lyu by Molmil
Crystal Structure of the C-terminal domain (residues 83-215) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A
分子名称: Putative hydrogenase
著者Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-02-28
公開日2010-03-23
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Northeast Structural Genomics Consortium Target PfR246A
To be Published
3LYS
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BU of 3lys by Molmil
Crystal Structure of the N-terminal domain of the Prophage pi2 protein 01 (integrase) from Lactococcus lactis, Northeast Structural Genomics Consortium Target KR124F
分子名称: Prophage pi2 protein 01, integrase
著者Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-02-28
公開日2010-03-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Northeast Structural Genomics Consortium Target KR124F
To be Published
3DZ2
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BU of 3dz2 by Molmil
Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3M0O
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BU of 3m0o by Molmil
Crystal Structure of the Lys265Met mutant of monomeric sarcosine oxidase
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase
著者Mathews, F.S, Chen, Z.-W, Jorns, M.S.
登録日2010-03-03
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of mutations at the oxygen activation site in monomeric sarcosine oxidase .
Biochemistry, 49, 2010
3DIE
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BU of 3die by Molmil
Domain swapping of Staphylococcus Aureus thioredoxin W28A mutant
分子名称: CADMIUM ION, FE (III) ION, Thioredoxin
著者Martinez-Rodriguez, S, Loris, R, Messens, J.
登録日2008-06-20
公開日2009-03-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Coupling of domain swapping to kinetic stability in a thioredoxin mutant
J.Mol.Biol., 385, 2009
3E03
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BU of 3e03 by Molmil
Crystal structure of a putative dehydrogenase from Xanthomonas campestris
分子名称: CALCIUM ION, Short chain dehydrogenase
著者Sampathkumar, P, Wasserman, S, Rutter, M, Hu, S, Bain, K, Rodgers, L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-30
公開日2008-09-16
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of a putative dehydrogenase from Xanthomonas campestris
To be Published
3DLN
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BU of 3dln by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate
分子名称: GLUTAMIC ACID, Glutamate receptor 3, ZINC ION
著者Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
登録日2008-06-27
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008

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