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8P8P
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BU of 8p8p by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Ethenoadenosine
分子名称: Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate
著者Dolot, R.M, Dillenburg, M, Wagner, C.R.
登録日2023-06-02
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel inhibitors for hHINT1 protein
To Be Published
5I2E
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BU of 5i2e by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine
分子名称: 3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, GLYCEROL, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C, Wagner, C.R.
登録日2016-02-08
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
7Q2U
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BU of 7q2u by Molmil
The crystal structure of the HINT1 Q62A mutant.
分子名称: CACODYLATE ION, HEXAETHYLENE GLYCOL, Histidine triad nucleotide-binding protein 1, ...
著者Dolot, R.M, Strom, A.M, Wagner, C.R.
登録日2021-10-26
公開日2021-11-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Dynamic Long-Range Interactions Influence Substrate Binding and Catalysis by Human Histidine Triad Nucleotide-Binding Proteins (HINTs), Key Regulators of Multiple Cellular Processes and Activators of Antiviral ProTides.
Biochemistry, 61, 2022
4INI
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BU of 4ini by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Maize, K.M, Wagner, C.R, Finzel, B.C.
登録日2013-01-04
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily.
Febs J., 280, 2013
4INC
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BU of 4inc by Molmil
Human Histidine Triad Nucleotide Binding Protein 2
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 2, mitochondrial
著者Maize, K.M, Wagner, C.R, Finzel, B.C.
登録日2013-01-04
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily.
Febs J., 280, 2013
8PA9
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BU of 8pa9 by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl N2-methyl-2-aminoethenoadenosine
分子名称: 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl N2-methyl-2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
著者Dolot, R.M, Dillenburg, M, Wagner, C.R.
登録日2023-06-07
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel inhibitors for hHINT1 protein
To Be Published
8PAI
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BU of 8pai by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine
分子名称: 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
著者Dolot, R.M, Dillenburg, M, Wagner, C.R.
登録日2023-06-07
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel inhibitors for hHINT1 protein
To Be Published
8PA6
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BU of 8pa6 by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine
分子名称: 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
著者Dolot, R.M, Dillenburg, M, Wagner, C.R.
登録日2023-06-07
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Novel inhibitors for hHINT1 protein
To Be Published
8PAF
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BU of 8paf by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine
分子名称: 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
著者Dolot, R.M, Dillenburg, M, Wagner, C.R.
登録日2023-06-07
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel inhibitors for hHINT1 protein
To Be Published
5IPC
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BU of 5ipc by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
分子名称: 1,2-ETHANEDIOL, 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
分子名称: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-02-08
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
5WAA
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BU of 5waa by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) C84R mutant
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2017-06-26
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.098 Å)
主引用文献Structure and Functional Characterization of Human Histidine Triad Nucleotide-Binding Protein 1 Mutations Associated with Inherited Axonal Neuropathy with Neuromyotonia.
J. Mol. Biol., 430, 2018
3OCH
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BU of 3och by Molmil
Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic
分子名称: (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ...
著者Cody, V.
登録日2010-08-10
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic.
J.Am.Chem.Soc., 132, 2010
5WA9
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BU of 5wa9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Ala phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2017-06-26
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5WA8
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BU of 5wa8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2017-06-26
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6N3V
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BU of 6n3v by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-(ethylcarbamoyl)guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3X
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BU of 6n3x by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3W
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BU of 6n3w by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[3-Phenyl-1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-[(2-phenylethyl)carbamoyl]guanosine, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3Y
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BU of 6n3y by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
5EMT
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BU of 5emt by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-copper complex
分子名称: COPPER (II) ION, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Nix, J.C, Finzel, B.C.
登録日2015-11-06
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition by divalent metal ions of human histidine triad nucleotide binding protein1 (hHint1), a regulator of opioid analgesia and neuropathic pain.
Biochem. Biophys. Res. Commun., 491, 2017
6B42
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BU of 6b42 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2017-09-25
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KMB
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BU of 5kmb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Trp phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM6
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BU of 5km6 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex
分子名称: Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM2
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BU of 5km2 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) CMP catalytic product complex
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM8
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BU of 5km8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex
分子名称: ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017

 

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