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PDB: 40736 results

7NGX
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BU of 7ngx by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite: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
Descriptor: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: AMMONIUM ION, CHLORIDE ION, Protein ORF3, ...
Authors:Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.398 Å)
Cite: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
Descriptor: (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
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.681 Å)
Cite: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
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Copper resistance protein B, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Li, P, Gourdon, P.E.
Deposit date:2021-08-13
Release date:2022-07-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Erythrocyte membrane protein 1
Authors:Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
Deposit date:2020-12-03
Release date:2021-04-21
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
Deposit date:2020-11-04
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.936 Å)
Cite: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
Descriptor: Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain
Authors:Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F.
Deposit date:2021-10-26
Release date:2023-05-24
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite: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)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, GLYCEROL, ...
Authors:Menz, R.I, Walker, J.E, Leslie, A.G.W.
Deposit date:2001-02-02
Release date:2001-08-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Fab 3D6 heavy chain, Fab 3D6 light chain, HIV-1 gp41 immunodominant region
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETATE ION, Fab F240 heavy chain, Fab F240 light chain, ...
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Di Cera, E, Ruben, E.A, Chen, Z.
Deposit date:2021-11-08
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-24
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.803 Å)
Cite: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
Descriptor: BDBV223 antibody heavy chain, BDBV223 antibody light chain
Authors:King, L.B, West, B.R, Saphire, E.O.
Deposit date:2018-11-28
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit
Authors: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.
Deposit date:2016-12-16
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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)
Descriptor: CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ...
Authors: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)
Deposit date:2020-02-28
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2.052 Å)
Cite: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
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors: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.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
3HT3
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BU of 3ht3 by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus V713P mutant bound to G:dCTP
Descriptor: 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', ...
Authors:Wu, E.Y, Beese, L.S.
Deposit date:2009-06-11
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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数据于2024-07-31公开中

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