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4UM1
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BU of 4um1 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
1YTQ
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BU of 1ytq by Molmil
Structure of Native Human Beta B2 Crystallin
分子名称: Beta crystallin B2
著者Slingsby, C, Smith, M.A, Bateman, O.A.
登録日2005-02-10
公開日2006-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mutation of interfaces in domain-swapped human betaB2-crystallin
Protein Sci., 16, 2007
4MZQ
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BU of 4mzq by Molmil
beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum in complex with propionyl-CoA
分子名称: beta-Alanyl-CoA:Ammonia Lyase, propionyl Coenzyme A
著者Heine, A, Reuter, K.
登録日2013-09-30
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Proteins, 82, 2014
6NB9
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BU of 6nb9 by Molmil
Amyloid-Beta (20-34) with L-isoaspartate 23
分子名称: Amyloid-beta A4 protein
著者Sawaya, M.R, Warmack, R.A, Boyer, D.R, Zee, C.T, Richards, L.S, Cascio, D, Gonen, T, Clarke, S.G, Eisenberg, D.S.
登録日2018-12-06
公開日2019-08-07
最終更新日2022-09-07
実験手法ELECTRON CRYSTALLOGRAPHY (1.05 Å)
主引用文献Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
4PTZ
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BU of 4ptz by Molmil
Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound form
分子名称: FLAVIN MONONUCLEOTIDE, FMN reductase SsuE, GLYCEROL, ...
著者Driggers, C.M, Ellis, H.R, Karplus, P.A.
登録日2014-03-11
公開日2014-06-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9007 Å)
主引用文献Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.
Biochemistry, 53, 2014
6OIZ
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BU of 6oiz by Molmil
Amyloid-Beta (20-34) wild type
分子名称: Amyloid beta A4 protein
著者Sawaya, M.R, Warmack, R.A, Zee, C.T, Gonen, T, Clarke, S.G, Eisenberg, D.S.
登録日2019-04-10
公開日2019-08-07
最終更新日2024-05-15
実験手法ELECTRON CRYSTALLOGRAPHY (1.1 Å)
主引用文献Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
4PU0
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BU of 4pu0 by Molmil
Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMNH2-bound form
分子名称: FLAVIN MONONUCLEOTIDE, FMN reductase SsuE, GLYCEROL, ...
著者Driggers, C.M, Ellis, H.R, Karplus, P.A.
登録日2014-03-11
公開日2014-06-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3018 Å)
主引用文献Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.
Biochemistry, 53, 2014
5IZ2
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BU of 5iz2 by Molmil
Crystal structure of the N. clavipes spidroin NTD at pH 6.5
分子名称: Major ampullate spidroin 1A, Major ampullate spidroin 1A (Partial C-terminus)
著者Atkison, J.H, Olsen, S.K.
登録日2016-03-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of the Nephila clavipes Major Ampullate Spidroin 1A N-terminal Domain Reveals Plasticity at the Dimer Interface.
J.Biol.Chem., 291, 2016
4PTY
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BU of 4pty by Molmil
Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in apo form
分子名称: FMN reductase SsuE, GLYCEROL, PHOSPHATE ION
著者Driggers, C.M, Ellis, H.R, Karplus, P.A.
登録日2014-03-11
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.
Biochemistry, 53, 2014
7PJM
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BU of 7pjm by Molmil
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J.
登録日2021-08-24
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
7PJN
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BU of 7pjn by Molmil
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B
分子名称: (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ...
著者Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J.
登録日2021-08-24
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
6TB0
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BU of 6tb0 by Molmil
Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii
分子名称: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2019-10-31
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
6TB1
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BU of 6tb1 by Molmil
Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii
分子名称: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2019-10-31
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
6WLE
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BU of 6wle by Molmil
Crystal structure of the Zeitlupe light-state mimic G46A
分子名称: 1,2-ETHANEDIOL, Adagio protein 1, FLAVIN MONONUCLEOTIDE
著者Zoltowski, B, Green, R.
登録日2020-04-20
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Steric and Electronic Interactions at Gln154 in ZEITLUPE Induce Reorganization of the LOV Domain Dimer Interface.
Biochemistry, 60, 2021
6WLP
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BU of 6wlp by Molmil
Crystal Structure of the ZTL light-state mimic G46S
分子名称: 1,2-ETHANEDIOL, Adagio protein 1, FLAVIN MONONUCLEOTIDE
著者Zoltowski, B, Green, R.
登録日2020-04-20
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Steric and Electronic Interactions at Gln154 in ZEITLUPE Induce Reorganization of the LOV Domain Dimer Interface.
Biochemistry, 60, 2021
4UM3
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BU of 4um3 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
6RWH
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BU of 6rwh by Molmil
Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex
分子名称: 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
5LVE
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BU of 5lve by Molmil
STRUCTURE OF THE VARIABLE DOMAIN OF HUMAN IMMUNOGLOBULIN K-4 LIGHT CHAIN LEN
分子名称: BENCE-JONES PROTEIN LEN, ZINC ION
著者Schiffer, M, Huang, D.-B, Chang, C.-H.
登録日1999-02-24
公開日2000-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Change in dimerization mode by removal of a single unsatisfied polar residue located at the interface.
Protein Sci., 9, 2000
6S9Q
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BU of 6s9q by Molmil
Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-07-15
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
1MUD
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BU of 1mud by Molmil
CATALYTIC DOMAIN OF MUTY FROM ESCHERICHIA COLI, D138N MUTANT COMPLEXED TO ADENINE
分子名称: ADENINE, Adenine DNA glycosylase, GLYCEROL, ...
著者Guan, Y, Tainer, J.A.
登録日1998-08-20
公開日1999-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献MutY catalytic core, mutant and bound adenine structures define specificity for DNA repair enzyme superfamily.
Nat.Struct.Biol., 5, 1998
3FG6
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BU of 3fg6 by Molmil
Structure of the C-terminus of Adseverin
分子名称: Adseverin, CALCIUM ION
著者Robinson, R.C.
登録日2008-12-05
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of the C-terminus of adseverin reveals the actin-binding interface.
Proc.Natl.Acad.Sci.USA, 106, 2009
4OEJ
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BU of 4oej by Molmil
Structure of membrane binding protein pleurotolysin B from Pleurotus ostreatus
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
登録日2014-01-13
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
5KEH
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BU of 5keh by Molmil
Truncated hemolysin A from P. mirabilis at 2.0 Angstroms resolution crystallized in a high salt condition
分子名称: Hemolysin
著者Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
登録日2016-06-09
公開日2017-03-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5KF3
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BU of 5kf3 by Molmil
Truncated hemolysin A from P. mirabilis Y134A at 2.2 Angstroms resolution
分子名称: Hemolysin
著者Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
登録日2016-06-11
公開日2017-03-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4OEB
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BU of 4oeb by Molmil
Structure of membrane binding protein pleurotolysin A from Pleurotus ostreatus
分子名称: Pleurotolysin A, SULFATE ION
著者Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
登録日2014-01-12
公開日2015-02-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015

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