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7RE4
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BU of 7re4 by Molmil
Apo Hemophilin from A. baumannii
分子名称: Hemophilin
著者Bateman, T.J, Shah, M, Moraes, T.F.
登録日2021-07-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
7REA
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BU of 7rea by Molmil
Apo Hemophilin from A. baumannii
分子名称: Hemophilin
著者Bateman, T.J, Shah, M, Moraes, T.F.
登録日2021-07-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
6VAT
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BU of 6vat by Molmil
Structure of the periplasmic domain of YejM from Salmonella typhimurium
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
著者Gabale, U, Ressl, S.
登録日2019-12-17
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
著者Gabale, U, Ressl, S.
登録日2019-12-20
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
6VDF
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BU of 6vdf by Molmil
Structure of the periplasmic domain of YejM from Salmonella typhimurium (twinned)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Gabale, U, Ressl, S.
登録日2019-12-25
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4RHW
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BU of 4rhw by Molmil
Crystal structure of Apaf-1 CARD and caspase-9 CARD complex
分子名称: Apoptotic protease-activating factor 1, CHLORIDE ION, Caspase-9, ...
著者Hu, Q, Wu, D, Yan, C, Shi, Y.
登録日2014-10-03
公開日2014-10-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular determinants of caspase-9 activation by the Apaf-1 apoptosome.
Proc. Natl. Acad. Sci. U.S.A., 111, 2014
2R9S
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BU of 2r9s by Molmil
c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ...
著者Habel, J.
登録日2007-09-13
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4O04
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BU of 4o04 by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
分子名称: 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.
登録日2013-12-13
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
4O0B
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BU of 4o0b by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
分子名称: 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.T.
登録日2013-12-13
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
4O05
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BU of 4o05 by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
分子名称: 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.T.
登録日2013-12-13
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
4O09
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BU of 4o09 by Molmil
Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease
分子名称: 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.T.
登録日2013-12-13
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DEZ
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BU of 6dez by Molmil
Anti-phosphotyrosine antibody PY20-4D5 Fab complexed with sulfate
分子名称: Anti-phosphotyrosine antibody PY20-4D5 heavy chain, Anti-phosphotyrosine antibody PY20-4D5 light chain, SULFATE ION
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
4O07
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BU of 4o07 by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
分子名称: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.T.
登録日2013-12-13
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
6KYB
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BU of 6kyb by Molmil
Crystal structure of Atg18 from Saccharomyces cerevisiae
分子名称: Autophagy-related protein 18
著者Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S.
登録日2019-09-17
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
6DF0
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BU of 6df0 by Molmil
anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with sulfate
分子名称: 4G10-4D5 Antibody Light chain, 4G10-4D5 Antibody heavy chain, SULFATE ION
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
8I1V
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BU of 8i1v by Molmil
The asymmetric unit of P22 procapsid
分子名称: Major capsid protein, Scaffolding protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I1T
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BU of 8i1t by Molmil
The asymmetric unit of P22 empty capsid
分子名称: Major capsid protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
2KNH
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BU of 2knh by Molmil
The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide
分子名称: Protein CBFA2T1, Transcription factor 12
著者Park, S, Cierpicki, T, Tonelli, M, Bushweller, J.H.
登録日2009-08-25
公開日2009-10-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the AML1-ETO eTAFH domain-HEB peptide complex and its contribution to AML1-ETO activity.
Blood, 113, 2009
2LCJ
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BU of 2lcj by Molmil
Solution NMR structure of Pab PolII Intein
分子名称: Pab polC intein
著者Jiajing, L, Mills, K.V, Albracht, C.D.
登録日2011-04-29
公開日2011-09-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Mutational Studies of a Hyperthermophilic Intein from DNA Polymerase II of Pyrococcus abyssi.
J.Biol.Chem., 286, 2011
4ZSX
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BU of 4zsx by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-2.0
分子名称: PHOSPHATE ION, Uncharacterized Fusion Protein
著者Lai, Y.-T, Yeates, T.O.
登録日2015-05-14
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4ZSZ
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BU of 4zsz by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-3.0
分子名称: Uncharacterized Fusion Protein
著者Lai, Y.-T, Yeates, T.O.
登録日2015-05-14
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.251 Å)
主引用文献On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015

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