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5BQD
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Crystal Structure of TBX5 (1-239) Dimer
分子名称: MAGNESIUM ION, T-box transcription factor TBX5
著者Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J.
登録日2015-05-28
公開日2016-03-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.583 Å)
主引用文献Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
5J1D
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BU of 5j1d by Molmil
X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia
分子名称: GLYCEROL, PHOSPHATE ION, Phosphate binding protein
著者Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N.
登録日2016-03-29
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein.
Acta Crystallogr D Struct Biol, 72, 2016
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
分子名称: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
著者Kohls, D, Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
4ZPG
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BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
6TJO
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BU of 6tjo by Molmil
Cryo-EM structure of TypeI tau filaments extracted from the brains of individuals with Corticobasal degeneration
分子名称: Microtubule-associated protein tau
著者Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W.
登録日2019-11-26
公開日2020-02-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Novel tau filament fold in corticobasal degeneration.
Nature, 580, 2020
7O0N
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BU of 7o0n by Molmil
Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
6TJX
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Cryo-EM structure of TypeII tau filaments extracted from the brains of individuals with Corticobasal degeneration
分子名称: Microtubule-associated protein tau
著者Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W.
登録日2019-11-27
公開日2020-02-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Novel tau filament fold in corticobasal degeneration.
Nature, 580, 2020
2RU2
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NMR solution structure of [G5,T7,S9]-oxytocin
分子名称: [G5,T7,S9]-oxytocin
著者Harvey, P, Craik, D.
登録日2013-11-08
公開日2014-10-22
実験手法SOLUTION NMR
主引用文献Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design.
Proc.Natl.Acad.Sci.USA, 110, 2013
7EF9
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BU of 7ef9 by Molmil
Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form II)
分子名称: Adenine DNA glycosylase, DNA (5'-D(*AP*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), ...
著者Nakamura, T, Nakabeppu, Y, Yamagata, Y.
登録日2021-03-21
公開日2021-06-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
7EF8
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Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form I)
分子名称: Adenine DNA glycosylase, DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), ...
著者Nakamura, T, Nakabeppu, Y, Yamagata, Y.
登録日2021-03-21
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
7EFA
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Crystal structure of the complex between the C-terminal domain of mouse MUTYH and human PCNA
分子名称: Adenine DNA glycosylase, Proliferating cell nuclear antigen
著者Nakamura, T, Nakabeppu, Y, Yamagata, Y.
登録日2021-03-21
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
7TFF
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BU of 7tff by Molmil
Crystal structure of human platelet phosphofructokinase-1 mutant- D564N
分子名称: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ...
著者Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S.
登録日2022-01-06
公開日2023-07-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity.
Biochem.J., 480, 2023
5CF8
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BU of 5cf8 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
2RVK
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BU of 2rvk by Molmil
Refined solution structure of Schizosaccharomyces pombe Sin1 CRIM domain
分子名称: Stress-activated map kinase-interacting protein 1
著者Furuita, K, Kataoka, S, Shiozaki, K, Kojima, C.
登録日2015-12-10
公開日2017-01-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Substrate specificity of TOR complex 2 is determined by a ubiquitin-fold domain of the Sin1 subunit.
Elife, 6, 2017
3QBH
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Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors
分子名称: (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1
著者Rondeau, J.M.
登録日2011-01-13
公開日2011-03-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2GVD
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BU of 2gvd by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With TNP-ATP and Mn
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
著者Mou, T.-C, Sprang, S.R.
登録日2006-05-02
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
2GVZ
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Crystal Structure of Complex of Gs- with The Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with MANT-ATP and Mn
分子名称: 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ...
著者Mou, T.-C, Sprang, S.R.
登録日2006-05-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
2DRI
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BU of 2dri by Molmil
PROBING PROTEIN-PROTEIN INTERACTIONS: THE RIBOSE BINDING PROTEIN IN BACTERIAL TRANSPORT AND CHEMOTAXIS
分子名称: D-RIBOSE-BINDING PROTEIN, beta-D-ribopyranose
著者Mowbray, S.L, Cole, L.B.
登録日1994-09-23
公開日1995-01-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing protein-protein interactions. The ribose-binding protein in bacterial transport and chemotaxis.
J.Biol.Chem., 269, 1994
2QZK
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Crystal structure of human Beta Secretase complexed with I21
分子名称: 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1
著者Munshi, S.
登録日2007-08-16
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3K5C
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Human BACE-1 complex with NB-216
分子名称: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
9FOF
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BU of 9fof by Molmil
Structure of heteromeric amyloid filament of TDP-43 and AXNA11 from FTLD-TDP Type C (variant 2)
分子名称: Annexin A11, TAR DNA-binding protein 43
著者Arseni, D, Ryskeldi-Falcon, B.
登録日2024-06-11
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Heteromeric amyloid filaments of ANXA11 and TDP-43 in FTLD-TDP Type C.
Biorxiv, 2024
3PI5
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Crystal Structure of Human Beta Secretase in Complex with BFG356
分子名称: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M.
登録日2010-11-05
公開日2011-03-23
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
9FOR
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Structure of heteromeric amyloid filament of TDP-43 and AXNA11 from FTLD-TDP Type C (variant 1)
分子名称: Annexin A11, TAR DNA-binding protein 43
著者Arseni, D, Ryskeldi-Falcon, B.
登録日2024-06-12
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Heteromeric amyloid filaments of ANXA11 and TDP-43 in FTLD-TDP Type C.
Biorxiv, 2024

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