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1CEQ
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BU of 1ceq by Molmil
CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE.
分子名称: PROTEIN (L-LACTATE DEHYDROGENASE)
著者Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L.
登録日1999-03-10
公開日1999-03-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
1CET
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BU of 1cet by Molmil
CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE.
分子名称: N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, PROTEIN (L-LACTATE DEHYDROGENASE)
著者Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L.
登録日1999-03-10
公開日1999-03-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
1R8H
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BU of 1r8h by Molmil
Comparison of the structure and DNA binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus
分子名称: PHOSPHATE ION, Regulatory protein E2
著者Dell, G, Wilkinson, K.W, Tranter, R, Parish, J, Brady, R.L, Gaston, K.
登録日2003-10-24
公開日2003-12-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of the structure and DNA-binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus.
J.Mol.Biol., 334, 2003
1T24
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BU of 1t24 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2F
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BU of 1t2f by Molmil
Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2D
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BU of 1t2d by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate
分子名称: GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2C
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BU of 1t2c by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T25
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BU of 1t25 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2E
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BU of 1t2e by Molmil
Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T26
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BU of 1t26 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
5NGX
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BU of 5ngx by Molmil
The 1.06 A resolution structure of the L16G mutant of ferric cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitrite
分子名称: Cytochrome c', GLYCEROL, HEME C, ...
著者Strange, R, Hough, M, Kekelli, D, Horrell, S, Moreno Chicano, T.
登録日2017-03-20
公開日2018-05-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg.Chem., 56, 2017
5NC0
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BU of 5nc0 by Molmil
The 0.91 A resolution structure of the L16G mutant of cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitric oxide
分子名称: 1,2-ETHANEDIOL, Cytochrome c', HEME C, ...
著者Strange, R, Hough, M, Antonyuk, S, Rustage, N.
登録日2017-03-02
公開日2018-01-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg Chem, 56, 2017
5CXH
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BU of 5cxh by Molmil
SYK catalytic domain complexed with a potent orally bioavailable thiazole inhibitor
分子名称: (4R)-4-[(1R)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2015-07-29
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
分子名称: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
著者Strater, N.
登録日2020-01-19
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
分子名称: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
著者Strater, N.
登録日2020-01-19
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2020-01-20
公開日2020-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6O0E
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BU of 6o0e by Molmil
Saxiphilin:STX complex, soaking
分子名称: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
著者Yen, T.J, Lolicato, M, Minor, D.L.
登録日2019-02-16
公開日2019-07-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O0D
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BU of 6o0d by Molmil
Saxiphilin Apo structure
分子名称: Saxiphilin
著者Yen, T.J, Lolicato, M, Minor, D.L.
登録日2019-02-16
公開日2019-07-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O0F
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BU of 6o0f by Molmil
Saxiphilin:STX complex, co-crystal
分子名称: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
著者Yen, T.J, Lolicato, M, Minor, D.L.
登録日2019-02-16
公開日2019-07-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6XRM
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BU of 6xrm by Molmil
Crystal structure of human PI3K-gamma in complex with Compound 4
分子名称: 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
6XRL
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BU of 6xrl by Molmil
Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549
分子名称: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
5N8F
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BU of 5n8f by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 1.
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION
著者Horrell, S, Kekilli, D, Hough, M, Strange, R.
登録日2017-02-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
5N8G
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BU of 5n8g by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2.
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION
著者Horrell, S, Kekilli, D, Hough, M, Strange, R.
登録日2017-02-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
5N8H
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BU of 5n8h by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3.
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION
著者Horrell, S, Kekilli, D, Hough, M, Strange, R.
登録日2017-02-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
5N8I
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BU of 5n8i by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset.
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION
著者Horrell, S, Kekilli, D, Hough, M, Strange, R.
登録日2017-02-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017

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