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8PN9
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Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
著者Ramirez, A.S, Kowal, J, Locher, K.P.
登録日2023-06-30
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024
8PQN
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NQO1 bound to RBS-10
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
著者Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A.
登録日2023-07-11
公開日2024-01-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
8OV6
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Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
分子名称: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
著者Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
登録日2023-04-25
公開日2023-05-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
8P9G
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9H
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9K
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9I
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9J
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9F
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9L
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BU of 8p9l by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8Q1H
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BU of 8q1h by Molmil
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
8QXN
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Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8QXK
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Cryo-EM structure of tetrameric human SAMHD1 State I - Tense
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8QXO
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Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8Q1G
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LSD1-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
8QXL
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BU of 8qxl by Molmil
Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
8QXM
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Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8PQX
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p97 (VCP) mutant - F539A state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2023-07-12
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献p97 (VCP) mutant - F539A state III
To Be Published
8R0E
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BU of 8r0e by Molmil
p97 (VCP) mutant - F266A
分子名称: Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2023-10-31
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献p97 (VCP) mutant - F266A
To Be Published
8QXJ
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Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8Q7V
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BU of 8q7v by Molmil
Structure of the recycling U5 snRNP bound to chaperones CD2BP2 and TSSC4 (State 1)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Riabov Bassat, D, Plaschka, C, Vorlaender, M.K.
登録日2023-08-17
公開日2024-04-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of human U5 snRNP late biogenesis and recycling.
Nat.Struct.Mol.Biol., 31, 2024
8Q7Q
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Structure of the recycling U5 snRNP bound to chaperones CD2BP2 and TSSC4 (State 2)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Riabov Bassat, D, Plaschka, C, Vorlaender, M.K.
登録日2023-08-16
公開日2024-04-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of human U5 snRNP late biogenesis and recycling.
Nat.Struct.Mol.Biol., 31, 2024
8QE0
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE2
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024

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件を2024-07-10に公開中

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