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7DT0
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BU of 7dt0 by Molmil
Proline hydroxylase H11-N101I mutant
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ...
著者Gong, W.G, Yang, L.Y.
登録日2021-01-04
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7E01
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BU of 7e01 by Molmil
Trans-3/4-proline-hydroxylase H11 in the sixth reaction state
分子名称: OXYGEN ATOM, PROLINE, Phytanoyl-CoA dioxygenase
著者Gong, W.G, Yang, L.Y.
登録日2021-01-26
公開日2022-02-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with 3-Hydroxyl-proline
To Be Published
7E05
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BU of 7e05 by Molmil
Trans-3/4-proline-hydroxylase H11 apo structure
分子名称: Phytanoyl-CoA dioxygenase
著者Gong, W.G, Yang, L.Y.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7E08
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BU of 7e08 by Molmil
Trans-3/4-proline-hydroxylase H11 with 4-Hydroxyl-proline
分子名称: 4-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase
著者Gong, W.G, Yang, L.Y.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 4-Hydroxyl-proline
To Be Published
7E09
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BU of 7e09 by Molmil
Trans-3/4-proline-hydroxylase H11 with 3-hydroxyl-proline
分子名称: 3-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase
著者Gong, W.G, Yang, L.Y.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7E07
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BU of 7e07 by Molmil
Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ...
著者Gong, W.G, Yang, L.Y.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7E00
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BU of 7e00 by Molmil
Trans-proline-hydroxylase H11 with Succinic and L-proline in the fourth reaction state.
分子名称: 2-OXOGLUTARIC ACID, OXYGEN ATOM, PROLINE, ...
著者Gong, W.G, Yang, L.Y.
登録日2021-01-26
公開日2022-02-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7E06
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BU of 7e06 by Molmil
Trans-3/4-proline-hydroxylase H11 with AKG
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Phytanoyl-CoA dioxygenase
著者Gong, W.G, Yang, L.Y.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
7DZZ
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BU of 7dzz by Molmil
Trans-3/4-proline-hydroxylase H11-stateV
分子名称: OXYGEN ATOM, PROLINE, Phytanoyl-CoA dioxygenase, ...
著者Gong, W.G, Yang, L.Y.
登録日2021-01-26
公開日2022-02-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Trans-3/4-proline-hydroxylase H11-stateV
To Be Published
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
分子名称: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-07-10
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
1CJ2
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BU of 1cj2 by Molmil
MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1CJ4
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BU of 1cj4 by Molmil
MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1CJ3
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BU of 1cj3 by Molmil
MUTANT TYR38GLU OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
5TQU
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BU of 5tqu by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor
分子名称: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-10-24
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis.
ACS Infect Dis, 3, 2017
7YRY
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BU of 7yry by Molmil
F1-ATPase of Acinetobacter baumannii
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Grueber, G.
登録日2022-08-11
公開日2023-06-21
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
5J5A
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BU of 5j5a by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
分子名称: METHIONINE, Methionyl-tRNA synthetase, putative, ...
著者Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5J58
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BU of 5j58 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856)
分子名称: (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5J59
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BU of 5j59 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893)
分子名称: 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
8A8N
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BU of 8a8n by Molmil
Structure of self-assembling engineered protein nanocage (EPN) fused with hepatitis A pX protein
分子名称: EPN-pX
著者Duyvesteyn, H.M.E, Stuart, D.I.
登録日2022-06-23
公開日2022-08-10
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Nonlytic cellular release of hepatitis A virus requires dual capsid recruitment of the ESCRT-associated Bro1 domain proteins HD-PTP and ALIX.
Plos Pathog., 18, 2022
1BGN
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BU of 1bgn by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 269 REPLACED BY THR (R269T), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-29
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1BGJ
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BU of 1bgj by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND HIS 162 REPLACED BY ARG (H162R), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-29
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1BF3
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BU of 1bf3 by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-26
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding.
Eur.J.Biochem., 253, 1998

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件を2024-05-29に公開中

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