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8CIU
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BU of 8ciu by Molmil
The FERM domain of human moesin mutant H288A
分子名称: Moesin
著者Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-02-10
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIR
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BU of 8cir by Molmil
The FERM domain of human moesin with a bound peptide identified by phage display
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
著者Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
登録日2023-02-10
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIS
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BU of 8cis by Molmil
The FERM domain of human moesin with two bound peptides identified by phage display
分子名称: 1,2-ETHANEDIOL, ACETATE ION, C3P, ...
著者Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
登録日2023-02-10
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
1FAS
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BU of 1fas by Molmil
1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM
分子名称: FASCICULIN 1
著者Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C.
登録日1992-08-07
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom.
J.Biol.Chem., 267, 1992
2YQ7
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BU of 2yq7 by Molmil
Structure of Bcl-xL bound to BimLOCK
分子名称: BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11, GLYCEROL
著者Smith, B.J, Czabotar, P.E.
登録日2012-11-06
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
2YXJ
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BU of 2yxj by Molmil
Crystal structure of Bcl-xL in complex with ABT-737
分子名称: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ...
著者Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M.
登録日2007-04-26
公開日2007-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family
Cell Death Differ., 14, 2007
3INQ
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BU of 3inq by Molmil
Crystal structure of BCL-XL in complex with W1191542
分子名称: 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ...
著者Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F.
登録日2009-08-12
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009
3IO8
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BU of 3io8 by Molmil
BimL12F in complex with Bcl-xL
分子名称: Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION
著者Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G.
登録日2009-08-14
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
分子名称: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
著者Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
登録日2009-08-14
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
2XSC
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BU of 2xsc by Molmil
Crystal structure of the cell-binding B oligomer of verotoxin-1 from E. coli
分子名称: SHIGA-LIKE TOXIN 1 SUBUNIT B, ZINC ION
著者Stein, P.E, Boodhoo, A, Tyrrell, G.J, Brunton, J.L, Oeffner, R.D, Bunkoczi, G, Read, R.J.
登録日2010-09-27
公開日2010-10-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Crystal Structure of the Cell-Binding B Oligomer of Verotoxin-1 from E. Coli.
Nature, 355, 1992
8OTV
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BU of 8otv by Molmil
Crystal structure of NUDT14 complexed with novel compound
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC)
登録日2023-04-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
8PDH
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BU of 8pdh by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
分子名称: (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDG
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BU of 8pdg by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z2738285202
分子名称: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide
著者Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
分子名称: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
2YQ6
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BU of 2yq6 by Molmil
Structure of Bcl-xL bound to BimSAHB
分子名称: BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL
著者Smith, B.J, Czabotar, P.E.
登録日2012-11-06
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
2ZNM
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BU of 2znm by Molmil
Oxidoreductase NmDsbA3 from Neisseria meningitidis
分子名称: Thiol:disulfide interchange protein DsbA
著者Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J.
登録日2008-04-30
公開日2008-08-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis
J.Biol.Chem., 283, 2008
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
分子名称: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-07-26
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8BNA
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BU of 8bna by Molmil
BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Pjura, P.E, Grzeskowiak, K, Dickerson, R.E.
登録日1986-08-29
公開日1987-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binding of Hoechst 33258 to the minor groove of B-DNA.
J.Mol.Biol., 197, 1987
5JR2
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BU of 5jr2 by Molmil
Crystal structure of the EphA4 LBD in complex with APYd3 peptide inhibitor
分子名称: APYd3 peptide, Ephrin type-A receptor 4, GLYCEROL, ...
著者Lechtenberg, B.C, Olson, E.J, Pasquale, E.B, Dawson, P.E, Riedl, S.J.
登録日2016-05-05
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Modifications of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor To Achieve High Plasma Stability.
Acs Med.Chem.Lett., 7, 2016
5L82
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BU of 5l82 by Molmil
NMR Structure of Enterocin K1 in 50%/50% TFE/Water
分子名称: Enterococcin K1
著者Ovchinnikov, K, Kristiansen, P.E, Diep, D.
登録日2016-06-06
公開日2017-05-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Leaderless Bacteriocin Enterocin K1 Is Highly Potent against Enterococcus faecium: A Study on Structure, Target Spectrum and Receptor.
Front Microbiol, 8, 2017
1XJ9
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BU of 1xj9 by Molmil
Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network
分子名称: peptide nucleic acid, (H-P(*GPN*TPN*APN*GPN*APN*TPN*CPN*APN*CPN*TPN)-LYS-NH2)
著者Petersson, B, Nielsen, B.B, Rasmussen, H, Larsen, I.K, Gajhede, M, Nielsen, P.E, Kastrup, J.S.
登録日2004-09-23
公開日2005-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network
J.Am.Chem.Soc., 127, 2005
1RRU
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The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals
分子名称: Peptide Nucleic Acid, (H-P(*CPN*GPN*TPN*APN*CPN*GPN)-LYS-NH2)
著者Rasmussen, H, Liljefors, T, Petersson, B, Nielsen, P.E, Kastrup, J.S.
登録日2003-12-09
公開日2004-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
J.Biomol.Struct.Dyn., 21, 2004
4ICD
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BU of 4icd by Molmil
REGULATION OF ISOCITRATE DEHYDROGENASE BY PHOSPHORYLATION INVOLVES NO LONG-RANGE CONFORMATIONAL CHANGE IN THE FREE ENZYME
分子名称: PHOSPHORYLATED ISOCITRATE DEHYDROGENASE
著者Hurley, J.H, Dean, A.M, Thorsness, P.E, Koshlandjunior, D.E, Stroud, R.M.
登録日1989-12-28
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation of isocitrate dehydrogenase by phosphorylation involves no long-range conformational change in the free enzyme.
J.Biol.Chem., 265, 1990
2FTC
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Structural Model for the Large Subunit of the Mammalian Mitochondrial Ribosome
分子名称: 39S ribosomal protein L11, mitochondrial, 39S ribosomal protein L12, ...
著者Mears, J.A, Sharma, M.R, Gutell, R.R, Richardson, P.E, Agrawal, R.K, Harvey, S.C.
登録日2006-01-24
公開日2006-04-11
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (12.1 Å)
主引用文献A Structural Model for the Large Subunit of the Mammalian Mitochondrial Ribosome
J.Mol.Biol., 358, 2006
2FX9
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Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a thioether-linked peptide encompassing the 4e10 epitope on gp41
分子名称: Fab 4E10, Fragment of HIV glycoprotein gp41
著者Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A.
登録日2006-02-03
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10.
J.Mol.Biol., 365, 2007

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