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4Y8Z
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Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
分子名称: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ...
著者Sheriff, S.
登録日2015-02-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Y
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Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
著者Wei, A.
登録日2015-02-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
7KGY
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Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Walker, M.E, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
1U7P
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X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
分子名称: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
7EWX
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (P78A mutant)
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWY
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (D79A mutant)
分子名称: Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWV
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (H34A mutant)
分子名称: MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX1
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (Y109A mutant)
分子名称: CHLORIDE ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWZ
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (D92A mutant)
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWW
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (N52A mutant)
分子名称: MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX0
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (K108A mutant)
分子名称: MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWU
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Crystal structure of Ebinur Lake virus cap snatching endonuclease (WT)
分子名称: MANGANESE (II) ION, Replicase
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX6
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 11
分子名称: MANGANESE (II) ION, Replicase, methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX8
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX9
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 28
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX2
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)
分子名称: MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX4
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX7
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX3
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Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3
分子名称: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
著者Kuang, W, Hu, Z, Gong, P.
登録日2021-05-26
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
1U7O
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Magnesium Dependent Phosphatase 1 (MDP-1)
分子名称: ACETATE ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
3I81
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Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
分子名称: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
著者Sack, J.S.
登録日2009-07-09
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
5ZZD
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Crystal structure of a protein from Aspergillus flavus
分子名称: O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Chang, Z.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-05-31
公開日2019-06-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis.
Org.Biomol.Chem., 17, 2019
4NFN
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Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
分子名称: 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NFM
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Human tau tubulin kinase 1 (TTBK1)
分子名称: GLYCEROL, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014

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