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4XZG
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BU of 4xzg by Molmil
Crystal structure of HIRAN domain of human HLTF
分子名称: Helicase-like transcription factor
著者Ikegaya, Y, Hara, K, Hashimoto, H.
登録日2015-02-04
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance
J.Biol.Chem., 290, 2015
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
分子名称: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
著者Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2019-06-30
公開日2019-07-24
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
6P6U
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BU of 6p6u by Molmil
Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
分子名称: ADENOSINE MONOPHOSPHATE, L-lactate dehydrogenase A chain
著者McPherson, A.
登録日2019-06-04
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
to be published
8D3F
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BU of 8d3f by Molmil
Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST
分子名称: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST
著者Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D.
登録日2022-06-01
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
6PGE
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BU of 6pge by Molmil
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
分子名称: 1,2-ETHANEDIOL, SULFATE ION, WD repeat-containing protein 5, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6P5N
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BU of 6p5n by Molmil
Structure of a mammalian 80S ribosome in complex with a single translocated Israeli Acute Paralysis Virus IRES and eRF1
分子名称: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
著者Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
登録日2019-05-30
公開日2019-09-25
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
6PGC
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BU of 6pgc by Molmil
WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
4XHU
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BU of 4xhu by Molmil
The complex structure of Timeless_PAB and PARP-1_catalytic domain
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Xie, S, Qian, C.
登録日2015-01-06
公開日2015-09-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair.
Mol.Cell, 60, 2015
6PK6
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BU of 6pk6 by Molmil
Human PRPF4B bound to benzothiophene inhibitor 329
分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2019-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献to be published
To Be Published
6PA7
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BU of 6pa7 by Molmil
The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome.
分子名称: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ...
著者Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A.
登録日2019-06-11
公開日2020-06-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
6PG7
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BU of 6pg7 by Molmil
WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol
分子名称: DI(HYDROXYETHYL)ETHER, WD repeat-containing protein 5, {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGD
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BU of 6pgd by Molmil
WDR5delta32 bound to peptidomimetic
分子名称: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PF4
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BU of 6pf4 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6P05
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BU of 6p05 by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27
分子名称: Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R.
登録日2019-05-16
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
4X9P
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BU of 4x9p by Molmil
Crystal structure of bovine Annexin A2
分子名称: Annexin A2, CALCIUM ION, CHLORIDE ION
著者Shumilin, I.A, Hollas, H, Vedeler, A, Kretsinger, R.H.
登録日2014-12-11
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The native structure of annexin A2 peptides in hydrophilic environment determines their anti-angiogenic effects.
Biochem. Pharmacol., 95, 2015
4XEI
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BU of 4xei by Molmil
Orthorhombic isomorph of bovine Arp2/3 complex
分子名称: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ...
著者Jurgenson, C.J, Pollard, T.P.
登録日2014-12-23
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.874 Å)
主引用文献Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
6PG6
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BU of 6pg6 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
分子名称: CHLORIDE ION, N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide, SULFATE ION, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6P9V
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BU of 6p9v by Molmil
Crystal Structure of hMAT Mutant K289L
分子名称: ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ...
著者Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2019-06-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
6PF3
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BU of 6pf3 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PGF
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BU of 6pgf by Molmil
WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
分子名称: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6P5K
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BU of 6p5k by Molmil
Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 3)
分子名称: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
著者Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
登録日2019-05-30
公開日2019-09-18
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
分子名称: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
著者Dias, J.M, Byrnes, L.J, Varghese, A.H.
登録日2022-07-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
6PG3
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BU of 6pg3 by Molmil
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
分子名称: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
4XBF
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BU of 4xbf by Molmil
Structure of LSD1:CoREST in complex with ssRNA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Luka, Z, Loukachevitch, L.V, Martin, W.J, Wagner, C, Reiter, N.J.
登録日2014-12-16
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献G-quadruplex RNA binding and recognition by the lysine-specific histone demethylase-1 enzyme.
RNA, 22, 2016
6PG5
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BU of 6pg5 by Molmil
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019

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