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7LJJ
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BU of 7ljj by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase
著者Robb, C.S, Boraston, A.B.
登録日2021-01-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7LGV
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BU of 7lgv by Molmil
NMR structure of Beta-KTx14.3
分子名称: Neurotoxin beta-KTx 14.3
著者Carranza-Gonzalez, L.E, Titaux-Delgado, G.A, del Rio-Portilla, J.F.
登録日2021-01-21
公開日2022-02-09
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
7LGF
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BU of 7lgf by Molmil
Asymmetric unit for phage Qbeta prolate particle
分子名称: Capsid protein
著者Chang, J.Y, Zhang, J.
登録日2021-01-20
公開日2022-01-26
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles.
Viruses, 14, 2022
7LGE
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BU of 7lge by Molmil
Asymmetric unit for phage Qbeta T=4 particle
分子名称: Capsid protein
著者Chang, J.Y, Zhang, J.
登録日2021-01-20
公開日2022-01-26
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles.
Viruses, 14, 2022
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
分子名称: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
5KFD
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BU of 5kfd by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction with 1 mM Mn2+ for 300s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
7LHD
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BU of 7lhd by Molmil
The complete model of phage Qbeta virion
分子名称: Capsid protein, Genomic RNA, Maturation protein A2
著者Chang, J.Y, Zhang, J.
登録日2021-01-22
公開日2022-01-26
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles.
Viruses, 14, 2022
5KFN
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BU of 5kfn by Molmil
Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: reaction with 1 mM Mg2+ for 1800s
分子名称: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
分子名称: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
5KFZ
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BU of 5kfz by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 14 degree
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
7LP8
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BU of 7lp8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7LPY
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BU of 7lpy by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
分子名称: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
著者Thapar, R, Andrew, A.S, Tainer, J.A.
登録日2021-02-12
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
7LPZ
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BU of 7lpz by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
分子名称: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
著者Thapar, R, Andrew, A.S, Tainer, J.A.
登録日2021-02-12
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
分子名称: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
5KFP
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BU of 5kfp by Molmil
Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: reaction with 20 mM Mg2+ for 600s
分子名称: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), CALCIUM ION, DIPHOSPHATE, ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KG0
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BU of 5kg0 by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 22 degree
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
7LQ0
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BU of 7lq0 by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
分子名称: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
著者Thapar, R, Andrew, A.S, Tainer, J.A.
登録日2021-02-12
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
7LP7
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BU of 7lp7 by Molmil
The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7LI1
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BU of 7li1 by Molmil
Crystal structure of holo Moraxella catarrhalis ferric binding protein A in an open conformation
分子名称: CARBONATE ION, FE (III) ION, Fe(3+) ABC transporter substrate-binding protein
著者Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B.
登録日2021-01-26
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
7LI0
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BU of 7li0 by Molmil
Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation
分子名称: CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B.
登録日2021-01-26
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
7LRR
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BU of 7lrr by Molmil
Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) (M1) and Co(II) (M2)
分子名称: COBALT (II) ION, HEME C, Soluble cytochrome b562
著者Choi, T.S, Tezcan, F.A.
登録日2021-02-17
公開日2022-02-23
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
7LQA
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BU of 7lqa by Molmil
X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged)
分子名称: CALCIUM ION, Proteinase K, SULFATE ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-13
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LSL
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BU of 7lsl by Molmil
Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II)
分子名称: HEME C, NICKEL (II) ION, Soluble cytochrome b562
著者Choi, T.S, Tezcan, F.A.
登録日2021-02-18
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure-guided metal selectivity in malleable protein interface mediated by single disulfide bond
To Be Published
5K5Z
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BU of 5k5z by Molmil
Structure of pnob8 ParA
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ParA
著者Schumacher, M.
登録日2016-05-24
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.369 Å)
主引用文献Structures of archaeal DNA segregation machinery reveal bacterial and eukaryotic linkages.
Science, 349, 2015

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