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8HV3
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BU of 8hv3 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV6
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BU of 8hv6 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 8
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV2
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BU of 8hv2 by Molmil
Crystal structure of EGFR_wt in complex with covalently bound fragment 4
分子名称: Epidermal growth factor receptor, ~{N}-pyridin-2-ylprop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV8
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BU of 8hv8 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 10
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV9
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BU of 8hv9 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 12
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV7
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BU of 8hv7 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 9
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
7X73
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Structure of G9a in complex with RK-701
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
登録日2022-03-09
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
5WR7
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BU of 5wr7 by Molmil
Crystal structure of Trk-A complexed with a selective inhibitor CH7057288
分子名称: High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
著者Tanaka, H, Blaesse, M, Augustin, M, Goesser, C.
登録日2016-11-30
公開日2017-12-06
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
1BHI
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BU of 1bhi by Molmil
STRUCTURE OF TRANSACTIVATION DOMAIN OF CRE-BP1/ATF-2, NMR, 20 STRUCTURES
分子名称: CRE-BP1
著者Nagadoi, A, Nakazawa, K, Uda, H, Maekawa, T, Ishii, S, Nishimura, Y.
登録日1998-06-09
公開日1999-06-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain.
J.Mol.Biol., 287, 1999
1N27
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BU of 1n27 by Molmil
Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3
分子名称: Hepatoma-derived growth factor, related protein 3
著者Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-10-22
公開日2003-12-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PWWP domain of the hepatoma-derived growth factor family.
Protein Sci., 14, 2005
7COZ
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BU of 7coz by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41
分子名称: 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ...
著者Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
登録日2020-08-05
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
7CP0
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BU of 7cp0 by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase
分子名称: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
著者Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
登録日2020-08-05
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
1E79
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BU of 1e79 by Molmil
Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ...
著者Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2000-08-25
公開日2000-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution.
Nat.Struct.Biol., 7, 2000
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
5XSZ
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BU of 5xsz by Molmil
Crystal structure of zebrafish lysophosphatidic acid receptor LPA6
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a
著者Taniguchi, R, Nishizawa, T, Ishitani, R, Nureki, O.
登録日2017-06-16
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6
Nature, 548, 2017
7XUA
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Structure of G9a in complex with compound 10a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUB
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BU of 7xub by Molmil
Structure of G9a in complex with compound 10d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUC
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Structure of G9a in complex with compound 11a
分子名称: 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUD
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BU of 7xud by Molmil
Structure of G9a in complex with compound 26a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7BV9
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BU of 7bv9 by Molmil
The NMR structure of the BEN domain from human NAC1
分子名称: Nucleus accumbens-associated protein 1
著者Nagata, T, Kobayashi, N, Nakayama, N, Obayashi, E, Urano, T.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Nucleus Accumbens-Associated Protein 1 Binds DNA Directly through the BEN Domain in a Sequence-Specific Manner.
Biomedicines, 8, 2020
1UKX
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BU of 1ukx by Molmil
Solution structure of the RWD domain of mouse GCN2
分子名称: GCN2 eIF2alpha kinase
著者Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-09-03
公開日2004-08-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
1WVO
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BU of 1wvo by Molmil
Solution structure of RSGI RUH-029, an antifreeze protein like domain in human N-acetylneuraminic acid phosphate synthase gene.
分子名称: Sialic acid synthase
著者Ito, Y, Hamada, T, Hayashi, F, Yokoyama, S, Hirota, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-12-22
公開日2006-01-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the antifreeze-like domain of human sialic acid synthase
Protein Sci., 15, 2006
1RCH
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BU of 1rch by Molmil
SOLUTION NMR STRUCTURE OF RIBONUCLEASE HI FROM ESCHERICHIA COLI, 8 STRUCTURES
分子名称: RIBONUCLEASE HI
著者Yamazaki, T, Fujiwara, M, Kato, T, Yamasaki, K, Nagayama, K.
登録日1995-06-23
公開日1997-02-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of Ribonuclease Hi from Escherichia Coli
Biol.Pharm.Bull., 23, 2000

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