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4PYU
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The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells
分子名称: U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5
著者Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S.
登録日2014-03-28
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
J Mol Cell Biol, 6, 2014
4Q7H
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Crystal structure of SAMHD1 catalytic core with GTP
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ZINC ION
著者Xiaohong, Q, Yanhong, L, Jia, K, Xiaofang, Y.
登録日2014-04-25
公開日2015-05-27
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.587 Å)
主引用文献Structural insight into activation mechanism of SAMHD1
To be Published
4QFZ
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BU of 4qfz by Molmil
Crystal structure of the tetrameric dGTP/dTTP-bound SAMHD1 (RN206) mutant catalytic core
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
6P5L
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BU of 6p5l by Molmil
Crystal Structure of Ubl123 with an EZH2 peptide
分子名称: PRO-ARG-LYS-LYS-LYS-ARG-LYS-HIS, Ubiquitin carboxyl-terminal hydrolase 7
著者Saridakis, V.
登録日2019-05-30
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.296 Å)
主引用文献Structural Basis of the Interaction Between Ubiquitin Specific Protease 7 and Enhancer of Zeste Homolog 2.
J.Mol.Biol., 432, 2020
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
4QB3
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BU of 4qb3 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with Olinone
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2014-05-06
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression.
Chem.Biol., 21, 2014
4QF2
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Crystal structure of human BAZ2A PHD zinc finger in the free form
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
著者Tallant, C, Overvoorde, L, Van Molle, I, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-07-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
4QG1
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BU of 4qg1 by Molmil
Crystal structure of the tetrameric GTP/dATP-bound SAMHD1 (RN206) mutant catalytic core
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
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
4QFX
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BU of 4qfx by Molmil
Crystal structure of the tetrameric dGTP/dATP-bound SAMHD1 (RN206) mutant catalytic core
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-21
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
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
4QG2
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BU of 4qg2 by Molmil
Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (RN206) mutant catalytic core
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
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
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
4QO8
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
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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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
4QG0
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BU of 4qg0 by Molmil
Crystal structure of the tetrameric dGTP/dUTP-bound SAMHD1 (RN206) mutant catalytic core
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYURIDINE-5'-TRIPHOSPHATE, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
4QG4
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BU of 4qg4 by Molmil
Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
4QL1
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Crystal structure of human WDR5 in complex with compound OICR-9429
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-10
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
4QO7
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014

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