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8GU1
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Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
分子名称: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
著者Lonare, S, Sharma, M, Sharma, A.K.
登録日2022-09-09
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
8G2M
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The tumor activated anti-CTLA-4 monoclonal antibody XTX101 demonstrates tumor-growth inhibition and tumor-selective pharmacodynamics in mouse models of cancer
分子名称: CITRIC ACID, Heavy chain of humanized IgG, Light chain of humanized IgG, ...
著者Williams, J.C, Williams, J.C.
登録日2023-02-05
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献XTX101, a tumor-activated, Fc-enhanced anti-CTLA-4 monoclonal antibody, demonstrates tumor-growth inhibition and tumor-selective pharmacodynamics in mouse models of cancer.
J Immunother Cancer, 11, 2023
7KL2
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Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, NMDA 2B
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
To Be Published
7KL1
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Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7KL0
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Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
5TAO
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Haloferax volcanii Malate Synthase Lead(II) complex
分子名称: ACETATE ION, CHLORIDE ION, GLYOXYLIC ACID, ...
著者Howard, B.R, Adams, M.J.
登録日2016-09-10
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray analysis of Lead(II) binding to Haloferax volcanii Malate Synthase
The Journal of the Utah Academy, 93, 2016
7JLL
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The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site.
To be Published
7JMQ
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The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-08-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7JTT
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The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-08-18
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7JNE
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Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGSQLRIASR
分子名称: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2020-08-04
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JN9
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Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP
分子名称: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2020-08-04
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C1B
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Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar ABC transporter, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-02
公開日2021-03-10
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 thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
7JMM
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Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR
分子名称: Alkaline phosphatase, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2020-08-02
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JN8
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Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR
分子名称: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2020-08-04
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LTP
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BU of 7ltp by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
7LV5
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BU of 7lv5 by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
To be Published
7LX1
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The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-02
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
To be Published
7LUT
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The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution.
To be Published
7LVX
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BU of 7lvx by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-26
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution.
To be Published
7LY8
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The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7KQF
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BU of 7kqf by Molmil
The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-11-15
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution.
To be Published
7L03
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The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-11
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site.
To be Published
7L4D
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The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with cesium ion at the metal coordination site at 1.60 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with cesium ion at the metal coordination site at 1.60 Angstrom resolution
To be Published
7L47
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The internal aldimine form of the beta-K167T mutant Tryptophan Synthase from Salmonella at 1.55 Angstrom resolution with cesium ion at the metal coordination site
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the beta-K167T mutant Tryptophan Synthase from Salmonella at 1.55 Angstrom resolution with cesium ion at the metal coordination site.
To be Published
7L1H
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The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-14
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
To be Published

223790

件を2024-08-14に公開中

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