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1UF9
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BU of 1uf9 by Molmil
Crystal structure of TT1252 from Thermus thermophilus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, TT1252 protein
Authors:Seto, A, Murayama, K, Toyama, M, Ebihara, A, Nakagawa, N, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-28
Release date:2003-11-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:ATP-induced structural change of dephosphocoenzyme A kinase from Thermus thermophilus HB8
PROTEINS, 58, 2005
1UFB
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BU of 1ufb by Molmil
Crystal structure of TT1696 from Thermus thermophilus HB8
Descriptor: TT1696 protein
Authors:Idaka, M, Murayama, K, Yamaguchi, H, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-28
Release date:2003-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of TT1696 from Thermus thermophilus HB8
To be published
1UFA
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BU of 1ufa by Molmil
Crystal structure of TT1467 from Thermus thermophilus HB8
Descriptor: TT1467 protein
Authors:Idaka, M, Terada, T, Murayama, K, Yamaguchi, H, Nureki, O, Ishitani, R, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-28
Release date:2003-11-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of TT1467 from Thermus thermophilus HB8
To be published
1UF3
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BU of 1uf3 by Molmil
Crystal structure of TT1561 of thermus thermophilus HB8
Descriptor: CALCIUM ION, hypothetical protein TT1561
Authors:Kato-Murayama, M, Shirouzu, M, Terada, T, Murayama, K, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-23
Release date:2003-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of TT1561 of thermus thermophilus HB8
To be Published
8HAL
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BU of 8hal by Molmil
Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 1
Descriptor: CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAG
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BU of 8hag by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (3.2 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAM
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BU of 8ham by Molmil
Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 2
Descriptor: CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAH
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BU of 8hah by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (3.9 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAI
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BU of 8hai by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (4.7 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAN
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BU of 8han by Molmil
Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 3
Descriptor: CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAJ
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BU of 8haj by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (4.8 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAK
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BU of 8hak by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 4 (4.5 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
5H0B
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BU of 5h0b by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoic acid
Descriptor: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate, Tyrosine-protein kinase HCK
Authors:Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-10-04
Release date:2017-10-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0H
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BU of 5h0h by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide
Descriptor: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK
Authors:Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-10-04
Release date:2017-10-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0E
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BU of 5h0e by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide
Descriptor: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK
Authors:Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-10-04
Release date:2017-10-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0G
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BU of 5h0g by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide
Descriptor: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK
Authors:Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-10-04
Release date:2017-10-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
8Y2O
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BU of 8y2o by Molmil
The Cryo-EM structure of human tRNA methyltransferase FTSJ1-THADA with substrate tRNA and S-adenosyl homocysteine (SAH)
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Ishiguro, K, Fujimura, A, Shirouzu, M.
Deposit date:2024-01-26
Release date:2025-06-18
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural insights into tRNA recognition of the human FTSJ1-THADA complex.
Commun Biol, 8, 2025
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab816 heavy chain, Ab816 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab803 heavy chain, Ab803 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
1UFM
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BU of 1ufm by Molmil
Solution structure of the PCI domain
Descriptor: COP9 complex subunit 4
Authors:Suzuki, S, Hatanaka, H, Kigawa, T, Shirouzu, M, Hayashizaki, Y, The RIKEN Genome Exploration Research Group Phase I & II Teams, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-02
Release date:2004-06-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the PCI domain
To be Published
8Z7D
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BU of 8z7d by Molmil
Structure of G9a in complex with compound 9a
Descriptor: 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7E
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BU of 8z7e by Molmil
Structure of G9a in complex with compound 9b
Descriptor: Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7C
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BU of 8z7c by Molmil
Structure of G9a in complex with compound 7i
Descriptor: 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8K9L
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BU of 8k9l by Molmil
Full agonist- and positive allosteric modulator-bound mu-type opioid receptor-G protein complex
Descriptor: (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine, DAMGO, G protein subunit alpha i3, ...
Authors:Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I.
Deposit date:2023-08-01
Release date:2024-05-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024
8K9K
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BU of 8k9k by Molmil
Full agonist-bound mu-type opioid receptor-G protein complex
Descriptor: DAMGO, G protein subunit alpha i3, Guanine nucleotide binding protein, ...
Authors:Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I.
Deposit date:2023-08-01
Release date:2024-05-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024

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