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6UPV
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BU of 6upv by Molmil
Alpha-E-catenin ABD-F-actin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Mei, L, Alushin, G.M.
登録日2019-10-18
公開日2020-09-30
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
6UPW
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BU of 6upw by Molmil
Metavinculin ABD-F-actin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Mei, L, Alushin, G.M.
登録日2019-10-18
公開日2020-09-30
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
分子名称: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
著者Li, Y, Chen, G, Li, H.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L4Z
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BU of 6l4z by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 6
分子名称: 4-(hydroxymethyl)benzoic acid, Genome polyprotein
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L50
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BU of 6l50 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
分子名称: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.394 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
登録日2022-02-24
公開日2022-05-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi Protein Complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, H, Kobilka, B.
登録日2022-02-24
公開日2022-12-07
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
7TW3
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BU of 7tw3 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A1) from red blood cell
分子名称: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TVZ
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BU of 7tvz by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in diagonal conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW2
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BU of 7tw2 by Molmil
Cryo-EM structure of human band 3 dimer from red blood cell
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW0
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BU of 7tw0 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in vertical conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, Protein 4.2
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW1
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BU of 7tw1 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex (B2P2vertical)
分子名称: Band 3 anion transport protein, Protein 4.2
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW5
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BU of 7tw5 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A2) from red blood cell
分子名称: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW6
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BU of 7tw6 by Molmil
Cryo-EM structure of human ankyrin complex (B4P1A1) from red blood cell
分子名称: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
著者Xia, X, Liu, S.H, Zhou, Z.H.
登録日2022-02-06
公開日2022-06-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
分子名称: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2020-02-07
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
分子名称: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
著者Chen, S.D, Yang, M.
登録日2021-02-09
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
4J51
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BU of 4j51 by Molmil
Cyrstal structure of protein tyrosine phosphatase Lyp catalytic domain complex with small molecular inhibitor L75N04
分子名称: 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 22
著者Liu, D, He, Y, Zhang, Z.-Y.
登録日2013-02-07
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Potent and Selective Small-Molecule Inhibitor for the Lymphoid-Specific Tyrosine Phosphatase (LYP), a Target Associated with Autoimmune Diseases.
J.Med.Chem., 56, 2013
4B4A
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BU of 4b4a by Molmil
Structure of the TatC core of the twin arginine protein translocation system
分子名称: Lauryl Maltose Neopentyl Glycol, SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC
著者Rollauer, S.E, Tarry, M.J, Jaaskelainen, M, Graham, J.E, Jaeger, F, Krehenbrink, M, Roversi, P, McDowell, M.A, Stansfeld, P.J, Johnson, S, Liu, S.M, Lukey, M.J, Marcoux, J, Robinson, C.V, Sansom, M.S, Palmer, T, Hogbom, M, Berks, B.C, Lea, S.M.
登録日2012-07-30
公開日2012-12-05
最終更新日2012-12-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the Tatc Core of the Twin-Arginine Protein Transport System.
Nature, 49, 2012
4G8B
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BU of 4g8b by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone
分子名称: Alpha/beta hydrolase fold protein, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
著者Liang, D.C, Yan, X.X, Gao, A.
登録日2012-07-23
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9E
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BU of 4g9e by Molmil
Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine
分子名称: Alpha/beta hydrolase fold protein, N-butanoyl-L-homoserine
著者Liang, D.C, Yan, X.X, Gao, A.
登録日2012-07-23
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.088 Å)
主引用文献High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
分子名称: Leukocyte elastase inhibitor
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013

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