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PDB: 737 results
8U8M
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X-ray crystal structure of TEBP-1 MCD2 homodimer
Descriptor: COBALT (II) ION, Double-strand telomeric DNA-binding proteins 1
Authors:Nandakumar, J, Padmanaban, S.
Deposit date:2023-09-18
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
7S3L
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Structure of Bacillus subtilis CcrZ (previously called YtmP)
Descriptor: Aminoglycoside phosphotransferase family protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nandakumar, J, Wozniak, K.J.
Deposit date:2021-09-07
Release date:2022-05-11
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and kinase activity of bacterial cell cycle regulator CcrZ.
Plos Genet., 18, 2022
7CC2
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Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2020-06-16
Release date:2021-06-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.723 Å)
Cite:Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DT2
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Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-04
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DXL
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Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite:Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
7F3Y
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BU of 7f3y by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
7F3Z
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BU of 7f3z by Molmil
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
7FGX
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Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGW
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Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGY
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Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
8WGM
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BU of 8wgm by Molmil
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP
Descriptor: (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Arwon, U, Decharuangsilp, S, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2023-09-22
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Flexible 2,4-diaminopyrimidine bearing a butyrolactone as Plasmodium falciparum dihydrofolate reductase inhibitors.
Bioorg.Chem., 153, 2024
8WGN
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Human dihydrofolate reductase (HsDHFR) complexed with NADPH and LA1
Descriptor: (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Decharuangsilp, S, Arwon, U, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2023-09-22
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flexible 2,4-diaminopyrimidine bearing a butyrolactone as Plasmodium falciparum dihydrofolate reductase inhibitors.
Bioorg.Chem., 153, 2024
7F8H
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BU of 7f8h by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.491 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
8SH0
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BU of 8sh0 by Molmil
Structure of human POT1 DNA binding domain bound to a 5'-phosphorylated junction of a telomeric DNA hairpin with a 3'-overhang
Descriptor: ACETATE ION, DNA (5'-D(P*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), Protection of telomeres protein 1
Authors:Nandakumar, J, Tesmer, V.M.
Deposit date:2023-04-13
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Human POT1 protects the telomeric ds-ss DNA junction by capping the 5' end of the chromosome.
Science, 381, 2023
8SH1
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BU of 8sh1 by Molmil
Structure of human POT1 DNA binding domain bound to a 5'-phosphorylated junction of a telomeric double-stranded DNA duplex with a 3'-overhang
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*CP*GP*CP*GP*CP*G)-3'), Protection of telomeres protein 1
Authors:Nandakumar, J, Tesmer, V.M.
Deposit date:2023-04-13
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human POT1 protects the telomeric ds-ss DNA junction by capping the 5' end of the chromosome.
Science, 381, 2023
7CTY
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BU of 7cty by Molmil
Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP
Descriptor: Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2020-08-20
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
7CTW
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BU of 7ctw by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP
Descriptor: 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2020-08-20
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
2QY6
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BU of 2qy6 by Molmil
Crystal structure of the N-terminal domain of UPF0209 protein yfcK from Escherichia coli O157:H7
Descriptor: UPF0209 protein yfcK
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Eberle, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-13
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the N-terminal domain of UPF0209 protein yfcK from Escherichia coli O157:H7.
To be Published
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-18
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2QU7
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BU of 2qu7 by Molmil
Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus
Descriptor: CHLORIDE ION, Putative transcriptional regulator
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-03
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus.
To be Published
2QW6
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BU of 2qw6 by Molmil
Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO
Descriptor: AAA ATPase, central region
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-09
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO.
To be Published
2QGY
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BU of 2qgy by Molmil
Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea
Descriptor: Enolase from the environmental genome shotgun sequencing of the Sargasso Sea, MAGNESIUM ION
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-06-29
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea.
To be Published
2QR3
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BU of 2qr3 by Molmil
Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis
Descriptor: Two-component system response regulator
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Fong, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-27
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis.
To be Published
2QV0
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BU of 2qv0 by Molmil
Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae
Descriptor: Protein mrkE
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, I, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-07
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae.
To be Published

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PDB entries from 2024-10-30

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