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3OHH
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BU of 3ohh by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889 aka n~1~-butyl-5-cyano- n~3~-((1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~-methyl-1h-indole-1,3- dicarboxamide
分子名称: Beta-secretase 1, GLYCEROL, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide, ...
著者Muckelbauer, J.K.
登録日2010-08-17
公開日2011-04-06
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
4R89
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BU of 4r89 by Molmil
Crystal structure of paFAN1 - 5' flap DNA complex with Manganase
分子名称: DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
著者Cho, Y, Gwon, G.H, Kim, Y.R.
登録日2014-08-30
公開日2014-10-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.002 Å)
主引用文献Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
3OHF
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BU of 3ohf by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Muckelbauer, J.K.
登録日2010-08-17
公開日2011-04-06
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
5U2J
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BU of 5u2j by Molmil
MORF double PHD finger (DPF) in complex with histone H3K14bu
分子名称: Histone H3K14bu, Histone acetyltransferase KAT6B, ZINC ION
著者Andrews, F.H, Klein, B.J, Kutateladze, T.G.
登録日2016-11-30
公開日2017-04-12
最終更新日2017-04-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of Histone H3K14 Acylation by MORF.
Structure, 25, 2017
3AFK
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BU of 3afk by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
分子名称: Anti-tumor lectin, THREONINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Feng, L, Li, D, Wang, D.
登録日2010-03-09
公開日2010-12-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
3QDP
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BU of 3qdp by Molmil
Structural characterization of the interaction of colicin A, colicin N, and TolB with TolAIII translocon
分子名称: NITRATE ION, Protein tolA
著者Li, C.
登録日2011-01-19
公開日2012-01-25
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Evidence That Colicin A Protein Binds to a Novel Binding Site of TolA Protein in Escherichia coli Periplasm.
J.Biol.Chem., 287, 2012
2MOG
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BU of 2mog by Molmil
Solution structure of the terminal Ig-like domain from Leptospira interrogans LigB
分子名称: Bacterial Ig-like domain, group 2
著者Ptak, C.P, Hsieh, C, Lin, Y, Maltsev, A.S, Raman, R, Sharma, Y, Oswald, R.E, Chang, Y.
登録日2014-04-25
公開日2014-08-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of the Terminal Immunoglobulin-like Domain from the Leptospira Host-Interacting Outer Membrane Protein, LigB.
Biochemistry, 53, 2014
3TZU
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BU of 3tzu by Molmil
Crystal structure of a glycine cleavage system H protein (GCVH) from Mycobacterium marinum
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-27
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
分子名称: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
4NQJ
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BU of 4nqj by Molmil
Structure of coiled-coil domain
分子名称: DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69
著者Yang, M, Li, Y.
登録日2013-11-25
公開日2014-05-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
3T7C
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BU of 3t7c by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to NAD
分子名称: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-07-29
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
7TNC
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BU of 7tnc by Molmil
M13F/G116F Pseudomonas aeruginosa azurin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, CHLORIDE ION, ...
著者Liu, Y, Lu, Y.
登録日2022-01-20
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023
3TK1
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BU of 3tk1 by Molmil
Crystal structure of a MeaB and Rv1496 ortholog from Mycobacterium thermoresistible bound to GDP
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Membrane ATPase/protein kinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-08-25
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
5JWQ
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BU of 5jwq by Molmil
Crystal structure of KaiC S431E in complex with foldswitch-stabilized KaiB from Thermosynechococcus elongatus
分子名称: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
著者Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.871 Å)
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
7U2F
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BU of 7u2f by Molmil
G116F Pseudomonas aeruginosa azurin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Liu, Y, Lu, Y.
登録日2022-02-23
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
分子名称: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
著者Ding, Y.H, Kohls, D, Low, C.
登録日2005-03-04
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
分子名称: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2017-07-25
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
4IN0
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BU of 4in0 by Molmil
Crystal Structure of human splicing factor dim2/TXNL4B
分子名称: Thioredoxin-like protein 4B, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Jin, T.C, Guo, F, Zhang, Y.Z.
登録日2013-01-03
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.327 Å)
主引用文献High-resolution crystal structure of human Dim2/TXNL4B.
Acta Crystallogr.,Sect.F, 69, 2013
7CH1
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BU of 7ch1 by Molmil
The overall structure of SLC26A9
分子名称: CHLORIDE ION, SODIUM ION, Solute carrier family 26 member 9
著者Chi, X.M, Chen, Y, Li, X.R, Zhang, Y.Y, Zhou, Q.
登録日2020-07-03
公開日2020-08-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence.
Cell Discov, 6, 2020
7C8J
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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
分子名称: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-01
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
5JWO
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BU of 5jwo by Molmil
Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC from Thermosynechococcus elongatus
分子名称: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
著者Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-02
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
5KCX
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BU of 5kcx by Molmil
Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor
分子名称: 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
著者Mechin, I, McLean, L.R, Zhang, Y, Wang, R.
登録日2016-06-07
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017

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