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human glycine transporter 1 in complex with glycine in occluded conformation
分子名称:	CHLORIDE ION, GLYCINE, Isoform GlyT-1B of Sodium- and chloride-dependent glycine transporter 1, ...
著者	Wei, Y, Zhao, Y.
登録日	2023-09-19
公開日	2024-04-03
最終更新日	2024-10-23
実験手法	ELECTRON MICROSCOPY (2.58 Å)
主引用文献	Transport mechanism and pharmacology of the human GlyT1. Cell, 187, 2024

8WFL

human glycine transporter 1 in complex with PF-03463275 in outward facing conformation
分子名称:	PF-3463275, Sodium- and chloride-dependent glycine transporter 1
著者	Wei, Y, Zhao, Y.
登録日	2023-09-19
公開日	2024-04-03
最終更新日	2024-10-23
実験手法	ELECTRON MICROSCOPY (3.03 Å)
主引用文献	Transport mechanism and pharmacology of the human GlyT1. Cell, 187, 2024

8WFJ

human glycine transporter 1 in complex with ALX-5407 in inward facing conformation
分子名称:	ALX5407, Sodium- and chloride-dependent glycine transporter 1
著者	Wei, Y, Zhao, Y.
登録日	2023-09-19
公開日	2024-04-03
最終更新日	2024-04-17
実験手法	ELECTRON MICROSCOPY (3.35 Å)
主引用文献	Transport mechanism and pharmacology of the human GlyT1. Cell, 187, 2024

8W8D

Structural mechanism of inhibition of the Rho transcription termination factor by Rof
分子名称:	Protein rof, Transcription termination factor Rho
著者	Zhang, J, Wang, C.
登録日	2023-09-01
公開日	2024-05-01
実験手法	ELECTRON MICROSCOPY (2.8 Å)
主引用文献	A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program. Nat Commun, 15, 2024

8IM0

mCherry-LaM8 complex
分子名称:	LaM8, MCherry fluorescent protein
著者	Liang, H, Liu, R, Ding, Y.
登録日	2023-03-05
公開日	2023-06-21
実験手法	X-RAY DIFFRACTION (1.31 Å)
主引用文献	Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023

8ILX

mCherry-LaM3 complex
分子名称:	LAM3, MCherry fluorescent protein
著者	Liang, H, Liu, R, Ding, Y.
登録日	2023-03-05
公開日	2023-06-21
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (3.29 Å)
主引用文献	Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023

8IM1

mCherry-LaM1 complex
分子名称:	LaM1, MCherry fluorescent protein, SULFATE ION
著者	Liang, H, Liu, R, Ding, Y.
登録日	2023-03-05
公開日	2023-06-21
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023

7A6O

Crystal Structure of the Complex of the Recombinant Von Willebrand Factor AIM-A1 domain and VHH81 at 2.1 Angstrom resolution
分子名称:	SULFATE ION, VHH81 Nanobody fragment, von Willebrand factor
著者	Brown, A.K, Emsley, J.
登録日	2020-08-25
公開日	2021-03-03
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.117 Å)
主引用文献	Activation of von Willebrand factor via mechanical unfolding of its discontinuous autoinhibitory module. Nat Commun, 12, 2021

7MSD

Structure of EED bound to EEDi-6068
分子名称:	(9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
著者	Petrunak, E, Stuckey, J.
登録日	2021-05-11
公開日	2021-10-20
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021

7MSB

Structure of EED bound to EEDi-4259
分子名称:	(9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
著者	Petrunak, E, Stuckey, J.
登録日	2021-05-11
公開日	2021-10-20
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021

8HDJ

Periplasmic domain of RsgI2 of Clostridium thermocellum
分子名称:	Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
著者	Chen, C, Dong, S, Feng, Y.G.
登録日	2022-11-04
公開日	2023-05-17
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction. Sci Adv, 9, 2023

8HER

Solution structure of the periplasmic domain of RsgI6 from Clostridium thermocellum
分子名称:	Anti-sigma factor
著者	Chen, C, Feng, Y.
登録日	2022-11-08
公開日	2023-05-24
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction. Sci Adv, 9, 2023

8HEP

Solution structure of the periplasmic domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称:	Anti-sigma factor
著者	Chen, C, Feng, Y.
登録日	2022-11-08
公開日	2023-05-24
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction. Sci Adv, 9, 2023

8HEQ

Solution structure of the periplasmic domain of the anti-sigma factor RsgI2 from Clostridium thermocellum
分子名称:	Anti-sigma-I factor RsgI2
著者	Chen, C, Feng, Y.
登録日	2022-11-08
公開日	2023-05-24
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction. Sci Adv, 9, 2023

6UTS

Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli
分子名称:	NICKEL (II) ION, Quercetin 2,3-dioxygenase
著者	Guo, B, Zhang, Y, Jia, Z.
登録日	2019-10-29
公開日	2019-11-06
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (3.09 Å)
主引用文献	Structure-Dependent Modulation of Substrate Binding and Biodegradation Activity of Pirin Proteins toward Plant Flavonols. Acs Chem.Biol., 14, 2019

6V0N

PRMT5 bound to PBM peptide from Riok1
分子名称:	Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
著者	McMIllan, B.J, Raymond, D.D.
登録日	2019-11-19
公開日	2020-08-26
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021

6V0O

PRMT5 bound to the PBM peptide from pICln
分子名称:	ACETYL GROUP, Methylosome protein 50, PBM peptide, ...
著者	McMillan, B.J, Raymond, D.D.
登録日	2019-11-19
公開日	2020-08-26
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.86 Å)
主引用文献	Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021

6W7F

Structure of EED bound to inhibitor 5285
分子名称:	8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
著者	Petrunak, E.M, Stuckey, J.A.
登録日	2020-03-19
公開日	2020-07-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020

6W7G

Structure of EED bound to inhibitor 1056
分子名称:	8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
著者	Petrunak, E.M, Stuckey, J.A.
登録日	2020-03-19
公開日	2020-07-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020

4UAI

Crystal structure of CXCL12 in complex with inhibitor
分子名称:	1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者	Smith, E.W, Chen, Y.
登録日	2014-08-09
公開日	2014-11-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine. J.Med.Chem., 57, 2014

6I44

Allosteric activation of human prekallikrein by apple domain disc rotation
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者	Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J.
登録日	2018-11-09
公開日	2019-03-06
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.36 Å)
主引用文献	Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019

6I58

Allosteric activation of human prekallikrein by apple domain disc rotation
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, CHLORIDE ION, ...
著者	Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J.
登録日	2018-11-13
公開日	2019-03-06
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019

5YOF

Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
分子名称:	(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
著者	Phoo, W.W, Zhang, Z.Z.
登録日	2017-10-27
公開日	2018-03-21
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.51 Å)
主引用文献	Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor Structure, 26, 2018

5YOD

Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
分子名称:	BENZOIC ACID, NS2B cofactor, NS3 protease
著者	Phoo, W.W, Zhang, Z.Z.
登録日	2017-10-27
公開日	2018-03-21
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor Structure, 26, 2018

6AXQ

CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
分子名称:	CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
著者	Murray, J.M, Jayaram, H.
登録日	2017-09-07
公開日	2018-02-21
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors. J. Med. Chem., 60, 2017

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