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6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
分子名称: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Palte, R.L, Schneider, S.E.
登録日2019-11-08
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
6UXX
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BU of 6uxx by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
分子名称: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Palte, R.L, Schneider, S.E.
登録日2019-11-08
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
7CMU
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BU of 7cmu by Molmil
Dopamine Receptor D3R-Gi-Pramipexole complex
分子名称: (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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, ...
著者Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
登録日2020-07-29
公開日2021-03-10
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
7CMV
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BU of 7cmv by Molmil
Dopamine Receptor D3R-Gi-PD128907 complex
分子名称: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, 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, ...
著者Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
登録日2020-07-29
公開日2021-03-10
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
分子名称: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
分子名称: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7PAE
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BU of 7pae by Molmil
The crystal structure of Deltarasin in complex with PDE6D
分子名称: ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAC
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BU of 7pac by Molmil
The crystal structure of PDE6D in the apo state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAD
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BU of 7pad by Molmil
The crystal structure of DW-0254 in complex with PDE6D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ...
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7QV2
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BU of 7qv2 by Molmil
Bacillus subtilis collided disome (Collided 70S)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Filbeck, S, Pfeffer, S.
登録日2022-01-19
公開日2022-03-09
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
7QV3
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BU of 7qv3 by Molmil
Bacillus subtilis MutS2-collided disome complex (MutS2 conf.2; Leading 70S)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Filbeck, S, Pfeffer, S.
登録日2022-01-19
公開日2022-03-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (5.14 Å)
主引用文献Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
7QV1
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BU of 7qv1 by Molmil
Bacillus subtilis collided disome (Leading 70S)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Filbeck, S, Pfeffer, S.
登録日2022-01-19
公開日2022-03-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
分子名称: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2008-12-22
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
7SPS
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BU of 7sps by Molmil
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7SPT
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BU of 7spt by Molmil
Crystal structure of exofacial state human glucose transporter GLUT3
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
分子名称: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
分子名称: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
2WGH
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BU of 2wgh by Molmil
Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P.
登録日2009-04-19
公開日2009-05-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
7KQR
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A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ...
著者Wang, Y, Shin, I, Liu, A.
登録日2020-11-17
公開日2021-03-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQS
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A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
著者Wang, Y, Liu, A.
登録日2020-11-17
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.677 Å)
主引用文献Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQU
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A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
著者Wang, Y, Davis, I, Liu, A.
登録日2020-11-17
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021

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