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7X7T
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BU of 7x7t by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
著者Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N.
登録日2022-03-10
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7U
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BU of 7x7u by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
著者Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
登録日2022-03-10
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KYC
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BU of 6kyc by Molmil
Structure of the S207A mutant of Clostridium difficile sortase B
分子名称: Putative peptidase C60B, sortase B
著者Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
登録日2019-09-17
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
4MTE
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BU of 4mte by Molmil
Zinc Uptake Regulator Complexed with Zinc and DNA
分子名称: ZINC ION, Zinc uptake regulation protein, znuABC operator DNA
著者Gilston, B.A, Mondragon, A, O'Halloran, T.V.
登録日2013-09-19
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Mechanistic Basis of Zinc Regulation Across the E. coli Zur Regulon.
Plos Biol., 12, 2014
4MTD
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BU of 4mtd by Molmil
Zinc Uptake Regulator Complexed With Zinc AND DNA
分子名称: ZINC ION, Zinc uptake regulation protein, znuABC operator DNA
著者Gilston, B.A, Mondragon, A, O'Halloran, T.V.
登録日2013-09-19
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Mechanistic Basis of Zinc Regulation Across the E. coli Zur Regulon.
Plos Biol., 12, 2014
4N3Y
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BU of 4n3y by Molmil
Crystal structure of Rabex-5CC and Rabaptin-5C21 complex
分子名称: Rab GTPase-binding effector protein 1, Rab5 GDP/GTP exchange factor
著者Zhang, Z, Zhang, T, Ding, J.
登録日2013-10-08
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular mechanism for Rabex-5 GEF activation by Rabaptin-5
Elife, 3, 2014
4NK4
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BU of 4nk4 by Molmil
Crystal structure of FabI from Candidatus Liberibacter asiaticus
分子名称: DI(HYDROXYETHYL)ETHER, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Jiang, L, Gao, Z.Q, Dong, Y.H.
登録日2013-11-12
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
6KYD
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BU of 6kyd by Molmil
Structure of the R217A mutant of Clostridium difficile sortase B
分子名称: Putative peptidase C60B, sortase B
著者Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
登録日2019-09-18
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
4NK5
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BU of 4nk5 by Molmil
Crystal structure of FabI-NAD complex from Candidatus Liberibacter asiaticus
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jiang, L, Gao, Z.Q, Dong, Y.H.
登録日2013-11-12
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
2M0Q
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BU of 2m0q by Molmil
Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
分子名称: Potassium voltage-gated channel subfamily E member 2
著者Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C.
登録日2012-11-01
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.
Sci Rep, 4, 2014
6VGL
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BU of 6vgl by Molmil
JAK2 JH1 in complex with ruxolitinib
分子名称: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-08
公開日2021-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
3T93
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BU of 3t93 by Molmil
Glutamate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2
分子名称: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
著者Ahmed, A.H, Oswald, R.E.
登録日2011-08-02
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
5GIM
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BU of 5gim by Molmil
Crystal structure of thrombin-avathrin complex
分子名称: C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ...
著者Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K.
登録日2016-06-24
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
2NA7
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BU of 2na7 by Molmil
Transmembrane domain of human Fas/CD95 death receptor
分子名称: Tumor necrosis factor receptor superfamily member 6
著者Fu, Q, Chou, J.J, Membrane Protein Structures by Solution NMR (MPSbyNMR)
登録日2015-12-21
公開日2016-01-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis and Functional Role of Intramembrane Trimerization of the Fas/CD95 Death Receptor.
Mol.Cell, 61, 2016
6VNB
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BU of 6vnb by Molmil
JAK2 JH1 in complex with BL2-084
分子名称: (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNE
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BU of 6vne by Molmil
JAK2 JH1 in complex with Fedratinib
分子名称: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNC
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BU of 6vnc by Molmil
JAK2 JH1 in complex with BL2-096
分子名称: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNG
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BU of 6vng by Molmil
JAK2 JH1 in complex with PN2-118
分子名称: N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNH
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BU of 6vnh by Molmil
JAK2 JH1 in complex with PN2-123
分子名称: N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNF
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BU of 6vnf by Molmil
JAK2 JH1 in complex with MA9-086
分子名称: N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VN8
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BU of 6vn8 by Molmil
JAK2 JH1 in complex with baricitinib
分子名称: Baricitinib, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNJ
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BU of 6vnj by Molmil
JAK2 JH1 in complex with PN4-014
分子名称: 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNM
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BU of 6vnm by Molmil
JAK2 JH1 in complex with SY5-103
分子名称: 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNI
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JAK2 JH1 in complex with PN3-115
分子名称: 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021

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