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4UNV
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BU of 4unv by Molmil
Covalent dimer of lambda variable domains
分子名称: IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
著者Brumshtein, B, Esswein, S, Landau, M, Ryan, C, Whitelegge, J, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
3VS7
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BU of 3vs7 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS1
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BU of 3vs1 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
分子名称: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS6
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BU of 3vs6 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
分子名称: CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VRY
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BU of 3vry by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
分子名称: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Niwa, H, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.481 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS4
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BU of 3vs4 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS2
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BU of 3vs2 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Niwa, H, Parker, J.L, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VRZ
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BU of 3vrz by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
分子名称: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.218 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS3
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BU of 3vs3 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS0
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BU of 3vs0 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
分子名称: CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.934 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS5
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BU of 3vs5 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, Tyrosine-protein kinase HCK
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
分子名称: Beta-amylase
著者Hofer, G, Keller, W.
登録日2018-04-27
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.00004673 Å)
主引用文献Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
5GKN
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BU of 5gkn by Molmil
Catalase structure determined by electron crystallography of thin 3D crystals
分子名称: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
著者Yonekura, K.
登録日2016-07-04
公開日2016-10-26
最終更新日2023-11-08
実験手法ELECTRON CRYSTALLOGRAPHY (3.2 Å)
主引用文献Refinement of Cryo-EM Structures Using Scattering Factors of Charged Atoms
J.Appl.Crystallogr., 49, 2016
1S3Q
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BU of 1s3q by Molmil
Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus
分子名称: ZINC ION, ferritin
著者Johnson, E, Cascio, D, Sawaya, M, Schroeder, I.
登録日2004-01-13
公開日2005-04-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
8HE5
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BU of 8he5 by Molmil
RNA polymerase II elongation complex bound with Rad26 and Elf1, stalled at SHL(-3.5) of the nucleosome
分子名称: DNA (198-MER), DNA repair protein, DNA-directed RNA polymerase subunit, ...
著者Osumi, K, Kujirai, T, Ehara, H, Kinoshita, C, Saotome, M, Kagawa, W, Sekine, S, Takizawa, Y, Kurumizaka, H.
登録日2022-11-07
公開日2023-07-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.95 Å)
主引用文献Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
3LOZ
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BU of 3loz by Molmil
Crystal structure of Beta 2 Microglobulin amyloidogenic segment LSFSKD
分子名称: Beta-2-microglobulin segment LSFSKD
著者Liu, C, Sawaya, M, Eisenberg, D.
登録日2010-02-04
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Beta2-microglobulin forms three-dimensional domain-swapped amyloid fibrils with disulfide linkages.
Nat.Struct.Mol.Biol., 18, 2011
7D56
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BU of 7d56 by Molmil
Structure of the peptidylarginine deiminase type III (PAD3) in complex with Cl-amidine
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Funabashi, K, Unno, M.
登録日2020-09-25
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.175 Å)
主引用文献Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D5V
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BU of 7d5v by Molmil
Structure of the C646A mutant of peptidylarginine deiminase type III (PAD3)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein-arginine deiminase type-3
著者Akimoto, M, Mashimo, R, Unno, M.
登録日2020-09-28
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D4Y
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BU of 7d4y by Molmil
Structure of human wild-type peptidylarginine deiminase type III (PAD3)
分子名称: Protein-arginine deiminase type-3
著者Unno, M.
登録日2020-09-24
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.962 Å)
主引用文献Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D5R
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BU of 7d5r by Molmil
Structure of the Ca2+-bound C646A mutant of peptidylarginine deiminase type III (PAD3)
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Mashimo, R, Akimoto, M, Unno, M.
登録日2020-09-28
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.148 Å)
主引用文献Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
8KB5
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BU of 8kb5 by Molmil
Cryo-EM structure of the human nucleosome containing H3.8
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Hirai, H, Kujirai, T, Takizawa, Y, Kurumizaka, H.
登録日2023-08-03
公開日2023-10-18
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.26133 Å)
主引用文献Cryo-EM and biochemical analyses of the nucleosome containing the human histone H3 variant H3.8.
J.Biochem., 174, 2023
1UJP
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BU of 1ujp by Molmil
Crystal Structure of Tryptophan Synthase A-Subunit From Thermus thermophilus HB8
分子名称: CITRIC ACID, Tryptophan synthase alpha chain
著者Asada, Y, Yokoyama, S, Kuramitsu, S, Miyano, M, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-08-08
公開日2003-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Stabilization mechanism of the tryptophan synthase alpha-subunit from Thermus thermophilus HB8: X-ray crystallographic analysis and calorimetry.
J.Biochem.(Tokyo), 138, 2005
3VHL
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BU of 3vhl by Molmil
Crystal structure of the DHR-2 domain of DOCK8 in complex with Cdc42 (T17N mutant)
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 8, PHOSPHATE ION
著者Hanawa-Suetsugu, K, Kukimoto-Niino, M, Nishizak, T, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
登録日2011-08-26
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献DOCK8 is a Cdc42 activator critical for interstitial dendritic cell migration during immune responses.
Blood, 119, 2012
4PF3
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BU of 4pf3 by Molmil
Mineralocorticoid receptor ligand-binding domain with compuond 37a
分子名称: 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor
著者Sogabe, S, Habuka, N.
登録日2014-04-28
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014

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