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6WAV
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Crystal structure of PHF1 in complex with H3K36me3 substitution
分子名称: Histone H3.1, PHD finger protein 1, SULFATE ION, ...
著者Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
登録日2020-03-26
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6WAT
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BU of 6wat by Molmil
complex structure of PHF1
分子名称: Histone H3.1t peptide, PHD finger protein 1, UNKNOWN ATOM OR ION
著者Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
登録日2020-03-26
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
7X93
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The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab765
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab765 heavy chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X95
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BU of 7x95 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab709
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab709 heavy chain, Ab709 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X94
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BU of 7x94 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab712
分子名称: Ab712 heavy chain, Ab712 light chain, Spike glycoprotein, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X96
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BU of 7x96 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab847
分子名称: Ab847 heavy chain, Ab847 light chain, Spike glycoprotein, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
3W69
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BU of 3w69 by Molmil
Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
分子名称: (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T.
登録日2013-02-12
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors
Bioorg.Med.Chem., 21, 2013
7Y6L
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BU of 7y6l by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab816
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab816 heavy chain, Ab816 light chain, ...
著者Uchikubo, T, Shirouzu, M.
登録日2022-06-21
公開日2023-06-21
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7Y6N
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BU of 7y6n by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab803
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab803 heavy chain, Ab803 light chain, ...
著者Uchikubo, T, Shirouzu, M.
登録日2022-06-21
公開日2023-06-21
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
6OWE
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BU of 6owe by Molmil
Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA
分子名称: 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate), Crotonyl-CoA carboxylase/reductase, IMIDAZOLE, ...
著者DeMirci, H.
登録日2019-05-09
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases.
Proc.Natl.Acad.Sci.USA, 116, 2019
1IVZ
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BU of 1ivz by Molmil
Solution structure of the SEA domain from murine hypothetical protein homologous to human mucin 16
分子名称: hypothetical protein 1110008I14RIK
著者Maeda, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-04-02
公開日2002-10-02
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the SEA domain from the murine homologue of ovarian cancer antigen CA125 (MUC16)
J.Biol.Chem., 279, 2004
4YIR
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BU of 4yir by Molmil
Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Min, J.-H, Chen, X, Kim, Y.
登録日2015-03-02
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.0501 Å)
主引用文献Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
6O3Z
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Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
分子名称: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
著者Min, X, Wang, Z.
登録日2019-02-27
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
7Z74
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BU of 7z74 by Molmil
PI3KC2a core in complex with PITCOIN2
分子名称: 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide
著者Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
登録日2022-03-15
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
7Z75
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PI3KC2a core in complex with PITCOIN3
分子名称: 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION, ...
著者Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
登録日2022-03-15
公開日2022-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
8A9I
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BU of 8a9i by Molmil
PI3KC2a core in complex with PITCOIN1
分子名称: 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ...
著者Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
登録日2022-06-28
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
8GPS
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BU of 8gps by Molmil
Cytoplasmic domain structure of the MgtE Mg2+ channel from Chryseobacterium hispalense
分子名称: MAGNESIUM ION, MgtE
著者Wang, M, Zhao, Y, Hattori, M.
登録日2022-08-27
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Novel Mg 2+ binding sites in the cytoplasmic domain of the MgtE Mg 2+ channels revealed by X-ray crystal structures.
Acta Biochim.Biophys.Sin., 55, 2023
8GPV
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BU of 8gpv by Molmil
Cytoplasmic domain structure of the MgtE Mg2+ channel from Clostridiales bacterium
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Magnesium transporter MgtE
著者Wang, M, Zhao, Y, Hattori, M.
登録日2022-08-27
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Novel Mg 2+ binding sites in the cytoplasmic domain of the MgtE Mg 2+ channels revealed by X-ray crystal structures.
Acta Biochim.Biophys.Sin., 55, 2023
1HBT
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BU of 1hbt by Molmil
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
著者Rehse, P.H, Cygler, M.
登録日1995-04-06
公開日1995-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
2Z4D
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BU of 2z4d by Molmil
NMR Structures of Yeast Proteasome Component Rpn13
分子名称: 26S proteasome regulatory subunit RPN13
著者Zhang, N, Walters, K.J.
登録日2007-06-15
公開日2008-05-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Proteasome subunit Rpn13 is a novel ubiquitin receptor.
Nature, 453, 2008
4OM8
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BU of 4om8 by Molmil
Crystal structure of 5-formly-3-hydroxy-2-methylpyridine 4-carboxylic acid (FHMPC) 5-dehydrogenase, an NAD+ dependent dismutase.
分子名称: 3-hydroxybutyryl-coA dehydrogenase, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Mugo, A.N, Kobayashi, J, Mikami, B, Yagi, T, Ohnishi, K.
登録日2014-01-27
公開日2015-01-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of 5-formyl-3-hydroxy-2-methylpyridine 4-carboxylic acid 5-dehydrogenase, an NAD(+)-dependent dismutase from Mesorhizobium loti
Biochem.Biophys.Res.Commun., 456, 2015
7SQO
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Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者McGrath, A.P, Kang, Y, Flinspach, M.
登録日2021-11-05
公開日2022-05-25
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
1BQR
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REDUCED PSEUDOAZURIN
分子名称: COPPER (II) ION, PSEUDOAZURIN
著者Inoue, T, Nishio, N, Hamanaka, S, Shimomura, T, Harada, S, Suzuki, S, Kohzuma, T, Shidara, S, Iwasaki, H, Kai, Y.
登録日1998-08-17
公開日1999-08-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure determinations of oxidized and reduced pseudoazurins from Achromobacter cycloclastes. Concerted movement of copper site in redox forms with the rearrangement of hydrogen bond at a remote histidine.
J.Biol.Chem., 274, 1999
3IWR
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BU of 3iwr by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase
著者Kezuka, Y, Watanabe, T, Nonaka, T.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
分子名称: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
著者Mao, Y, Clardy, J.
登録日2010-08-17
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010

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