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6AZW
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BU of 6azw by Molmil
IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AQZ
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BU of 6aqz by Molmil
Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri bound to NADP
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, gdp-l-fucose synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-08-21
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri bound to NADP
To Be Published
6AQY
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BU of 6aqy by Molmil
Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri
分子名称: CHLORIDE ION, SULFATE ION, gdp-l-fucose synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-08-21
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri
To Be Published
6BVP
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BU of 6bvp by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from Cupriavidus metallidurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者Yang, Y, Liu, F, Liu, A.
登録日2017-12-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6BVQ
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BU of 6bvq by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from Cupriavidus metallidurans in complex with 4-Cl-3-HAA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ...
著者Yang, Y, Liu, F, Liu, A.
登録日2017-12-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6BS7
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BU of 6bs7 by Molmil
Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1
分子名称: Adenylosuccinate synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-12-01
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila
to be published
6BVR
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BU of 6bvr by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者Yang, Y, Liu, F, Liu, A.
登録日2017-12-13
公開日2018-06-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6C25
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BU of 6c25 by Molmil
Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP
分子名称: Adenylosuccinate synthetase, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-01-06
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP
to be published
6BVS
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BU of 6bvs by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans in complex with 4-Cl-3-HAA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ...
著者Yang, Y, Liu, F, Liu, A.
登録日2017-12-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
7X3K
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BU of 7x3k by Molmil
Cryo-EM structure of RAC in the State C2 RNC-RAC complex
分子名称: Ribosome-associated complex subunit SSZ1, Zuotin
著者Chen, Y, Gao, N.
登録日2022-03-01
公開日2022-06-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural remodeling of ribosome associated Hsp40-Hsp70 chaperones during co-translational folding.
Nat Commun, 13, 2022
7OWG
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BU of 7owg by Molmil
human DEPTOR in a complex with mutant human mTORC1 A1459P
分子名称: DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ...
著者Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L.
登録日2021-06-18
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
7WYF
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BU of 7wyf by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Zhu, L, Li, H.
登録日2022-02-16
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
To Be Published
5OWI
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BU of 5owi by Molmil
The dynamic dimer structure of the chaperone Trigger Factor (conformer 1)
分子名称: Trigger factor
著者Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S.
登録日2017-09-01
公開日2017-11-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
5OWJ
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BU of 5owj by Molmil
The dynamic dimer structure of the chaperone Trigger Factor (conformer 2)
分子名称: Trigger factor
著者Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S.
登録日2017-09-01
公開日2017-11-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
7P0N
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BU of 7p0n by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation
分子名称: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Mirgaux, M, Wouters, J.
登録日2021-06-30
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
7P0R
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BU of 7p0r by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation
分子名称: GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ...
著者Mirgaux, M, Wouters, J.
登録日2021-06-30
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
5N7T
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BU of 5n7t by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-02-21
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
7PE9
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BU of 7pe9 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, DEPt-bound subset local refinement
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEB
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BU of 7peb by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, focussed on one protomer
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEC
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BU of 7pec by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, DEPt-bound subset local refinement
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE8
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BU of 7pe8 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, focussed on one protomer
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEA
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BU of 7pea by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, overall refinement
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE7
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BU of 7pe7 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, overall refinement
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-15
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
5NA5
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BU of 5na5 by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Rowland, P.
登録日2017-02-27
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017

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