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7AK0
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BU of 7ak0 by Molmil
Human MALT1(329-729) in complex with a chromane urea containing inhibitor
分子名称: 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M.
登録日2020-09-29
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.
J.Med.Chem., 63, 2020
7AK1
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BU of 7ak1 by Molmil
Human MALT1(329-729) in complex with a chromane urea containing inhibitor
分子名称: 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea, MAGNESIUM ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M.
登録日2020-09-29
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.
J.Med.Chem., 63, 2020
6SAK
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BU of 6sak by Molmil
Structure of the OTULINcat C129A - SNX27 PDZ domain complex.
分子名称: GLYCEROL, SULFATE ION, Sorting nexin-27, ...
著者Elliott, P.R, Komander, D.
登録日2019-07-17
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Regulation of the endosomal SNX27-retromer by OTULIN.
Nat Commun, 10, 2019
8FEF
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BU of 8fef by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEE
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BU of 8fee by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
分子名称: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
著者Chen, J, Bhabha, G, Ekiert, D.C.
登録日2022-12-06
公開日2023-02-22
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
3Q2V
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BU of 3q2v by Molmil
Crystal structure of mouse E-cadherin ectodomain
分子名称: CALCIUM ION, Cadherin-1, MANGANESE (II) ION, ...
著者Jin, X, Harrison, O.J, Shapiro, L.
登録日2010-12-20
公開日2011-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
3Q2W
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BU of 3q2w by Molmil
Crystal structure of mouse N-cadherin ectodomain
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, CALCIUM ION, ...
著者Jin, X, Shapiro, L.
登録日2010-12-20
公開日2011-02-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
3Q2L
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BU of 3q2l by Molmil
Mouse E-cadherin EC1-2 V81D mutant
分子名称: CALCIUM ION, Cadherin-1, PENTAETHYLENE GLYCOL
著者Harrison, O.J, Jin, X, Shapiro, L.
登録日2010-12-20
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
3Q2N
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BU of 3q2n by Molmil
Mouse E-cadherin EC1-2 L175D mutant
分子名称: CALCIUM ION, Cadherin-1, TETRAETHYLENE GLYCOL
著者Harrison, O.J, Jin, X, Shapiro, L.
登録日2010-12-20
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
1W3Y
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BU of 1w3y by Molmil
Crystal structure of S. pneumoniae hyaluronate lyase in complex with palmitoyl-vitamin C
分子名称: (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID, HYALURONATE LYASE, SULFATE ION, ...
著者Rigden, D.J, Jedrzejas, M.J.
登録日2004-07-21
公開日2004-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献L-Ascorbic Acid 6-Hexadecanoate, a Potent Hyaluronidase Inhibitor: X-Ray Structure and Molecular Modeling of Enzyme-Inhibitor Complexes
J.Biol.Chem., 279, 2004
3OOZ
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BU of 3ooz by Molmil
Bace1 in complex with the aminohydantoin Compound 102
分子名称: (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-08-31
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability
Bioorg.Med.Chem.Lett., 20, 2010
8BEC
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BU of 8bec by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1375 scFV
分子名称: SULFATE ION, Spike protein S1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-21
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG1
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BU of 8bg1 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1511 scFV
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG2
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BU of 8bg2 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1580 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1375 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG3
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BU of 8bg3 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1610 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1610 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG5
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BU of 8bg5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1631 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1631 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG4
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BU of 8bg4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1611 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1611 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG6
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BU of 8bg6 by Molmil
SARS-CoV-2 S protein in complex with pT1644 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1644 Fab heavy chain, ...
著者Stroeh, L, Hansen, G, Vollmer, B, Krey, T, Benecke, T, Gruenewald, K.
登録日2022-10-27
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (4.11 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG8
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BU of 8bg8 by Molmil
SARS-CoV-2 S protein in complex with pT1696 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1696 Fab heavy chain, ...
著者Hansen, G, Benecke, T, Vollmer, B, Gruenewald, K, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
7A0N
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BU of 7a0n by Molmil
Structure of TSC1 NTD and linker domain
分子名称: Uncharacterized protein,Uncharacterized protein
著者Fitzian, K, Kuemmel, D.
登録日2020-08-10
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
7A0M
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BU of 7a0m by Molmil
TSC1 N-terminal domain
分子名称: SULFATE ION, TSC1 N-terminal domain
著者Zech, R, Kiontke, S, Kuemmel, D.
登録日2020-08-10
公開日2021-05-26
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
6SSH
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BU of 6ssh by Molmil
Structure of the TSC2 GAP domain
分子名称: 1,2-ETHANEDIOL, GTPase activator-like protein
著者Hansmann, P, Kiontke, S, Kummel, D.
登録日2019-09-06
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Structure, 28, 2020
2MMM
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BU of 2mmm by Molmil
Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito
分子名称: K cecropin-like peptide
著者Padilla, A, Misse, D.
登録日2014-03-16
公開日2015-01-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains.
Plos One, 9, 2014
3S7L
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BU of 3s7l by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011

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