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6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
6JFH
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BU of 6jfh by Molmil
The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
4YVX
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BU of 4yvx by Molmil
Crystal structure of AKR1C3 complexed with glimepiride
分子名称: 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhao, Y, Zheng, X, Zhang, H, Hu, X.
登録日2015-03-20
公開日2015-11-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
分子名称: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
著者Liu, S, Li, X, Zhou, Z.H, Zhao, R.
登録日2018-11-27
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Wang, X, Ge, J.
登録日2020-04-14
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
3CID
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BU of 3cid by Molmil
Structure of BACE Bound to SCH726222
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CIC
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BU of 3cic by Molmil
Structure of BACE Bound to SCH709583
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5W5V
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BU of 5w5v by Molmil
TBK1 co-crystal structure with amlexanox
分子名称: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2017-06-15
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.645 Å)
主引用文献Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
3CIB
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BU of 3cib by Molmil
Structure of BACE Bound to SCH727596
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
7YMJ
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BU of 7ymj by Molmil
Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin
分子名称: Nb6, Tamsulosin, alpha1A-adrenergic receptor
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-28
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YMH
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BU of 7ymh by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline
分子名称: Nb29, Noradrenaline, alpha1A-adrenergic receptor, ...
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-28
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YM8
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BU of 7ym8 by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline
分子名称: CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ...
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-27
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7EJ1
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BU of 7ej1 by Molmil
human voltage-gated potassium channel KV1.3
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 3, Voltage-gated potassium channel subunit beta-2
著者Liu, S, Zhao, Y, Tian, C.
登録日2021-04-01
公開日2021-06-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of wild-type and H451N mutant human lymphocyte potassium channel K V 1.3.
Cell Discov, 7, 2021
7EJ2
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BU of 7ej2 by Molmil
human voltage-gated potassium channel KV1.3 H451N mutant
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 3, Voltage-gated potassium channel subunit beta-2
著者Liu, S, Zhao, Y, Tian, C.
登録日2021-04-01
公開日2021-06-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of wild-type and H451N mutant human lymphocyte potassium channel K V 1.3.
Cell Discov, 7, 2021
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
分子名称: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8W5J
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BU of 8w5j by Molmil
Cryo-EM structure of the yeast TOM core complex (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
分子名称: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
著者Longenecker, K.L, Park, C.H, Bigelow, L.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
5DZO
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BU of 5dzo by Molmil
Crystal structure of human T-cell immunoglobulin and mucin domain protein 1
分子名称: Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
著者Yuan, S, Rao, Z, Wang, X.
登録日2015-09-25
公開日2015-11-25
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
5DZN
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BU of 5dzn by Molmil
human T-cell immunoglobulin and mucin domain protein 4
分子名称: T-cell immunoglobulin and mucin domain-containing protein 4
著者Yuan, S, Rao, Z, Wang, X.
登録日2015-09-25
公開日2015-11-25
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
分子名称: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
分子名称: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
3I7B
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BU of 3i7b by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
8W5K
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BU of 8w5k by Molmil
Cryo-EM structure of the yeast TOM core complex crosslinked by BS3 (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024

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