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5I8C
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Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
分子名称: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
8PHI
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BU of 8phi by Molmil
Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ...
著者Rajak, M, Krey, T.
登録日2023-06-19
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor.
Nat Commun, 15, 2024
5I8E
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Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab
分子名称: VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
7CMA
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BU of 7cma by Molmil
Structure of A151R from African swine fever virus Georgia
分子名称: A151R, ZINC ION
著者Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R.
登録日2020-07-26
公開日2021-06-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure basis of non-structural protein pA151R from African Swine Fever Virus.
Biochem.Biophys.Res.Commun., 532, 2020
3V3E
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Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
著者Xu, K, Liu, K, Kwong, P.D.
登録日2019-09-11
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UCE
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BU of 6uce by Molmil
N123-VRC34_pI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide, N123-VRC34_pI3 heavy chain, N123-VRC34_pI3 light chain
著者Xu, K, Kwong, P.D.
登録日2019-09-16
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.382 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UCF
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BU of 6ucf by Molmil
N123-VRC34_pI4 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide, N123-VRC34_pI4 heavy chain, N123-VRC34_pI4 light chain
著者Xu, K, Kwong, P.D.
登録日2019-09-16
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
8FHS
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BU of 8fhs by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-12-15
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8GXL
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HUMAN SUGP1 433-577
分子名称: SURP and G-patch domain-containing protein 1
著者Xu, K, Tong, L.
登録日2022-09-20
公開日2022-12-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8GXM
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HUMAN SUGP1 433-586
分子名称: SURP and G-patch domain-containing protein 1
著者Xu, K, Tong, L.
登録日2022-09-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J, Yan, Z, Ke, M.
登録日2020-07-24
公開日2020-11-11
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020
5C1Y
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Crystal structure of EV71 3C Proteinase in complex with Compound 1
分子名称: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C20
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Crystal structure of EV71 3C Proteinase in complex with Compound 2
分子名称: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
分子名称: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
7C82
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Crystal structure of AlinE4, a SGNH-hydrolase family esterase
分子名称: ACETATE ION, ALANINE, CADMIUM ION, ...
著者Li, Z, Li, J.
登録日2020-05-28
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C84
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Esterase AlinE4 mutant, D162A
分子名称: ACETATE ION, CADMIUM ION, GLYCEROL, ...
著者Li, Z, Li, J.
登録日2020-05-28
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C85
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Esterase AlinE4 mutant-S13A
分子名称: ACETATE ION, CADMIUM ION, SGNH-hydrolase family esterase
著者Li, Z, Li, J.
登録日2020-05-28
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
5NPK
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1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-17
公開日2017-07-12
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NPP
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2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-18
公開日2017-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8WE6
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Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WEA
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Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Fan, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE8
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Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023

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