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5KMA
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BU of 5kma by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Trp phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM3
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BU of 5km3 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) UMP catalytic product complex
分子名称: GLYCEROL, Histidine triad nucleotide-binding protein 1, URIDINE-5'-MONOPHOSPHATE
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM6
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BU of 5km6 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex
分子名称: Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KMB
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BU of 5kmb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Trp phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM2
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BU of 5km2 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) CMP catalytic product complex
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM8
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BU of 5km8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex
分子名称: ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KLY
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BU of 5kly by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant adenosine nucleoside phosphoramidate substrate complex
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM0
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BU of 5km0 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint) IMP complex
分子名称: Histidine triad nucleotide-binding protein 1, INOSINIC ACID
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.533 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
7RN8
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BU of 7rn8 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
分子名称: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7SEO
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BU of 7seo by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO
分子名称: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Fuller, J.L, Finzel, B.C.
登録日2021-09-30
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
1PPA
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BU of 1ppa by Molmil
THE CRYSTAL STRUCTURE OF A LYSINE 49 PHOSPHOLIPASE A2 FROM THE VENOM OF THE COTTONMOUTH SNAKE AT 2.0 ANGSTROMS RESOLUTION
分子名称: ANILINE, PHOSPHOLIPASE A2
著者Holland, D.R, Clancy, L.L, Muchmore, S.W, Rydel, T.J, Einspahr, H.M, Finzel, B.C, Heinrikson, R.L, Watenpaugh, K.D.
登録日1991-10-29
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution.
J.Biol.Chem., 265, 1990
4PKR
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BU of 4pkr by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 10
分子名称: CHLORIDE ION, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKU
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BU of 4pku by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 15
分子名称: Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKS
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BU of 4pks by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 11
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKQ
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BU of 4pkq by Molmil
Anthrax toxin lethal factor with bound zinc
分子名称: 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ...
著者Maize, K.M, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKW
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BU of 4pkw by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
分子名称: 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKV
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BU of 4pkv by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 16
分子名称: Lethal factor, N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
著者Maize, K.M, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKT
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BU of 4pkt by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 13
分子名称: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide, ZINC ION
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
7RNE
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BU of 7rne by Molmil
Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO
分子名称: Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RNF
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BU of 7rnf by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO
分子名称: Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RM9
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BU of 7rm9 by Molmil
Human Malate Dehydrogenase I (MDHI)
分子名称: MALONATE ION, Malate dehydrogenase, cytoplasmic
著者McCue, W, Finzel, B.C.
登録日2021-07-27
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Cytosolic Malate Dehydrogenase I.
Acs Omega, 7, 2022
7RN7
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BU of 7rn7 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO
分子名称: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RN9
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BU of 7rn9 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO
分子名称: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RNB
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BU of 7rnb by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO
分子名称: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RND
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BU of 7rnd by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO
分子名称: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022

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