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5TF8
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BU of 5tf8 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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BU of 5tfj by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TF7
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BU of 5tf7 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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BU of 5tff by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFC
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BU of 5tfc by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFD
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BU of 5tfd by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFB
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BU of 5tfb by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFI
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BU of 5tfi by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFA
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BU of 5tfa by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFG
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BU of 5tfg by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP
Descriptor: 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5UYT
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BU of 5uyt by Molmil
Crystal structure of ice binding protein from an Antarctic bacterium Flavobacteriaceae
Descriptor: Ice-binding protein, NITRATE ION
Authors:Wang, C, Pakhomova, S, Newcomer, M.E, Christner, B.C, Luo, B.-H.
Deposit date:2017-02-24
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein.
PLoS ONE, 12, 2017
2QYO
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BU of 2qyo by Molmil
Crystal structure of isoflavone O-methyltransferase homolog in complex with biochanin A and SAH
Descriptor: 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, O-methyltransferase, POTASSIUM ION, ...
Authors:Wang, C, Yu, X.-H, Liu, C.-J.
Deposit date:2007-08-15
Release date:2008-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Medicago truncatula isoflavone O-methyltransferase reveal conserved surface binding motifs critical for enzymatic activity
To be Published
6KOL
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BU of 6kol by Molmil
Crystal structure of auracyanin from photosynthetic bacterium Roseiflexus castenholzii
Descriptor: Blue (Type 1) copper domain protein, CHLORIDE ION, COPPER (II) ION
Authors:Wang, C, Zhang, C.Y, Min, Z.Z, Xin, Y.Y, Xu, X.L.
Deposit date:2019-08-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
6L9S
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BU of 6l9s by Molmil
Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii
Descriptor: Blue (Type 1) copper domain protein, COPPER (I) ION
Authors:Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L.
Deposit date:2019-11-10
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
5Y5W
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BU of 5y5w by Molmil
Crystal structure of human Spindlin1 in complex with a histone H4K20(me3) peptide
Descriptor: Histone peptide H4K20(me3), Spindlin-1
Authors:Wang, C, Zang, J.
Deposit date:2017-08-10
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Spindlin-1 recognizes methylations of K20 and R23 of histone H4 tail
FEBS Lett., 592, 2018
7WN0
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BU of 7wn0 by Molmil
Structure of PfENT1(Y190A) in complex with nanobody 19
Descriptor: Equilibrative nucleoside/nucleobase transporter, nanobody19
Authors:Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
Deposit date:2022-01-17
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7WN1
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BU of 7wn1 by Molmil
Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine
Descriptor: Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48
Authors:Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
Deposit date:2022-01-17
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7YDQ
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BU of 7ydq by Molmil
Structure of PfNT1(Y190A)-GFP in complex with GSK4
Descriptor: 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein
Authors:Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D.
Deposit date:2022-07-04
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
Descriptor: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.946 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
Descriptor: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-04
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
Descriptor: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
Authors:Wang, C, Zhang, B, Groves, M.R.
Deposit date:2022-04-26
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
Descriptor: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-30
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-29
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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BU of 7zst by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
Descriptor: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
Authors:Wang, C, Zhang, B, Groves, M.R.
Deposit date:2022-05-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022

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