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8FDZ
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Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FE0
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Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FDX
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AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Nyman, M.C, Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FJW
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Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8G8F
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Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G7M
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ATP-bound mtHsp60 V72I focus
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7L
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ATP-bound mtHsp60 V72I
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7O
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ATP- and mtHsp10-bound mtHsp60 V72I focus
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7N
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ATP- and mtHsp10-bound mtHsp60 V72I
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7J
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mtHsp60 V72I apo
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7K
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mtHsp60 V72I apo focus
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8FJV
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Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8FJX
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Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8FJY
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BU of 8fjy by Molmil
Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-21
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8I7L
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BU of 8i7l by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor
分子名称: 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE
著者Li, K, Liu, W, Dong, X.
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy.
J Immunol., 209, 2022
6WJY
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HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A
分子名称: 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A, Neumann, L.
登録日2020-04-14
公開日2020-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6WOV
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Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 wild type in complex with FKBP12.6
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
著者Iyer, K.A, Hu, Y, Nayak, A.R, Kurebayashi, N, Murayama, T, Samso, M.
登録日2020-04-25
公開日2020-08-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6WOU
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Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 mutant R176Q in complex with FKBP12.6 in nanodisc
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
著者Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M.
登録日2020-04-25
公開日2020-08-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6X34
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Pig R615C RyR1 EGTA (all classes, open)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-05-21
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6WOT
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Cryo-EM structure of recombinant rabbit Ryanodine Receptor type 1 mutant R164C in complex with FKBP12.6
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
著者Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M.
登録日2020-04-25
公開日2020-08-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6X36
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Pig R615C RyR1 in complex with CaM, EGTA (class 3, closed)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-05-21
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6X32
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Wt pig RyR1 in complex with apoCaM, EGTA condition (class 1 and 2, closed)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ...
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-05-21
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6X35
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Pig R615C RyR1 in complex with CaM, EGTA (class 1, open)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ...
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-05-21
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6X33
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Wt pig RyR1 in complex with apoCaM, EGTA condition (class 3, open)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ...
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-05-21
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021

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