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PDB: 40736 件

7NGX
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Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGK
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BU of 7ngk by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGT
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BU of 7ngt by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGN
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BU of 7ngn by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGG
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BU of 7ngg by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGM
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BU of 7ngm by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGI
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BU of 7ngi by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NLC
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BU of 7nlc by Molmil
Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide
分子名称: AMMONIUM ION, CHLORIDE ION, Protein ORF3, ...
著者Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide
To Be Published
5KAJ
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BU of 5kaj by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant
分子名称: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
著者Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.681 Å)
主引用文献Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
7PGE
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BU of 7pge by Molmil
copper transporter PcoB
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Copper resistance protein B, LAURYL DIMETHYLAMINE-N-OXIDE, ...
著者Li, P, Gourdon, P.E.
登録日2021-08-13
公開日2022-07-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PcoB is a defense outer membrane protein that facilitates cellular uptake of copper.
Protein Sci., 31, 2022
6F8T
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BU of 6f8t by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a
分子名称: (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ...
著者Prosdocimi, T, Donini, S, Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6MPN
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BU of 6mpn by Molmil
Racemic M2-TM I42E crystallized from racemic detergent
分子名称: Matrix protein 2, octyl beta-D-glucopyranoside
著者Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
登録日2018-10-07
公開日2019-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
7B52
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BU of 7b52 by Molmil
VAR2CSA full ectodomain
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
登録日2020-12-03
公開日2021-04-21
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
7AV4
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BU of 7av4 by Molmil
Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
登録日2020-11-04
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
7SMK
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BU of 7smk by Molmil
H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex
分子名称: Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain
著者Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F.
登録日2021-10-26
公開日2023-05-24
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome.
Proc.Natl.Acad.Sci.USA, 120, 2023
1H8E
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BU of 1h8e by Molmil
(ADP.AlF4)2(ADP.SO4) bovine F1-ATPase (all three catalytic sites occupied)
分子名称: ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, GLYCEROL, ...
著者Menz, R.I, Walker, J.E, Leslie, A.G.W.
登録日2001-02-02
公開日2001-08-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Bovine Mitochondrial F1-ATPase with Nucleotide Bound to All Three Catalytic Sites: Implications for the Mechanism of Rotary Catalysis
Cell(Cambridge,Mass.), 106, 2001
7N08
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BU of 7n08 by Molmil
Crystal structure of the 3D6 antibody fragment bound to the HIV-1 gp41 immunodominant region
分子名称: Fab 3D6 heavy chain, Fab 3D6 light chain, HIV-1 gp41 immunodominant region
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7N05
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BU of 7n05 by Molmil
Crystal structure of the F240 antibody fragment bound to the HIV-1 gp41 immunodominant region
分子名称: ACETATE ION, Fab F240 heavy chain, Fab F240 light chain, ...
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7SR9
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BU of 7sr9 by Molmil
Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Di Cera, E, Ruben, E.A, Chen, Z.
登録日2021-11-08
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The active site region plays a critical role in Na + binding to thrombin.
J.Biol.Chem., 298, 2022
6N62
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BU of 6n62 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
登録日2018-11-24
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.803 Å)
主引用文献Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6N7U
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BU of 6n7u by Molmil
apo-BDBV223 Fab
分子名称: BDBV223 antibody heavy chain, BDBV223 antibody light chain
著者King, L.B, West, B.R, Saphire, E.O.
登録日2018-11-28
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Cross-reactive neutralizing human survivor monoclonal antibody BDBV223 targets the ebolavirus stalk.
Nat Commun, 10, 2019
5MPO
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BU of 5mpo by Molmil
Crystal structure of human molybdopterin synthase complex
分子名称: Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit
著者Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2016-12-16
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystal structure of human molybdopterin synthase complex
To Be Published
6Y7F
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BU of 6y7f by Molmil
Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7)
分子名称: CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ...
著者Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2020-02-28
公開日2020-05-13
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7)
TO BE PUBLISHED
5MQL
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BU of 5mql by Molmil
Crystal structure of dCK mutant C3S in complex with masitinib and UDP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
著者Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
登録日2016-12-20
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
3HT3
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Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus V713P mutant bound to G:dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*GP*CP*GP*TP*GP*AP*TP*CP*G)-3', 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DOC))-3', ...
著者Wu, E.Y, Beese, L.S.
登録日2009-06-11
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011

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件を2024-07-31に公開中

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