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Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
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, Dipeptidyl peptidase 4, ...
著者	Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
登録日	2014-07-29
公開日	2014-10-29
最終更新日	2020-07-29
実験手法	X-RAY DIFFRACTION (2.592 Å)
主引用文献	Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26. Cell Host Microbe, 16, 2014

5UQV

USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)
分子名称:	4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol, Ubiquitin carboxyl-terminal hydrolase 7
著者	Murray, J.M, Rouge, L.
登録日	2017-02-08
公開日	2017-10-25
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.84 Å)
主引用文献	USP7 small-molecule inhibitors interfere with ubiquitin binding. Nature, 550, 2017

5UQX

USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
分子名称:	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide, Ubiquitin carboxyl-terminal hydrolase 7
著者	Murray, J.M, Rouge, L.
登録日	2017-02-08
公開日	2017-10-25
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.23 Å)
主引用文献	USP7 small-molecule inhibitors interfere with ubiquitin binding. Nature, 550, 2017

5UPW

CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
分子名称:	Gag polyprotein
著者	Perilla, J.R.
登録日	2017-02-04
公開日	2017-03-01
最終更新日	2022-03-30
実験手法	ELECTRON MICROSCOPY (5 Å)
主引用文献	CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations. J Phys Chem B, 121, 2017

6D1D

Crystal structure of NDM-1 complexed with compound 6
分子名称:	ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者	Pemberton, O.A, Chen, Y.
登録日	2018-04-11
公開日	2019-04-17
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019

6D1I

Crystal structure of NDM-1 complexed with compound 12
分子名称:	ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者	Pemberton, O.A, Chen, Y.
登録日	2018-04-11
公開日	2019-04-17
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.1 Å)
主引用文献	Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019

7AX3

CryoEM structure of the super-constricted two-start dynamin 1 filament
分子名称:	Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者	Liu, J.W, Zhang, P.J.
登録日	2020-11-09
公開日	2021-11-10
実験手法	ELECTRON MICROSCOPY (3.74 Å)
主引用文献	CryoEM structure of the super-constricted two-start dynamin 1 filament. Nat Commun, 12, 2021

8OPS

Human terminal uridylyltransferase 7 (TUT7/ZCCHC6) bound with pre-let7g miRNA and Lin28A - complex 1
分子名称:	Protein lin-28 homolog A, RNA (71-MER) Let7g, Terminal uridylyltransferase 7, ...
著者	Yi, G, Ye, M, Gilbert, R.J.
登録日	2023-04-08
公開日	2024-07-24
実験手法	ELECTRON MICROSCOPY (3.82 Å)
主引用文献	Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs Nat.Struct.Mol.Biol., 2024

8OPP

Structure of human terminal uridylyltransferase 7 (hTUT7/ZCCHC6) bound with pre-let7g miRNA and UTPalphaS
分子名称:	RNA (25-MER), Terminal uridylyltransferase 7, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
著者	Yi, G, Ye, M, Gilbert, R.J.
登録日	2023-04-07
公開日	2024-07-24
実験手法	ELECTRON MICROSCOPY (3.76 Å)
主引用文献	Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs Nat.Struct.Mol.Biol., 2024

8OPT

Human terminal uridylyltransferase 7 (TUT7/ZCCHC6) bound with pre-let7g miRNA and Lin28A - complex 2
分子名称:	Protein lin-28 homolog A, RNA (53-MER), Terminal uridylyltransferase 7, ...
著者	Yi, G, Ye, M, Gilbert, R.J.
登録日	2023-04-08
公開日	2024-07-24
実験手法	ELECTRON MICROSCOPY (3.65 Å)
主引用文献	Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs Nat.Struct.Biol., 2024

8OEF

Structure of human terminal uridylyltransferase 7 (hTUT7/ZCCHC6)
分子名称:	Terminal uridylyltransferase 7
著者	Yi, G, Ye, M, Gilbert, R.J.
登録日	2023-03-10
公開日	2024-07-24
実験手法	ELECTRON MICROSCOPY (4 Å)
主引用文献	Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs Nat.Struct.Mol.Biol., 2024

7AW9

CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA
分子名称:	BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
著者	Huber, E.M, Groll, M.
登録日	2020-11-06
公開日	2022-04-13
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (3.5 Å)
主引用文献	Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX. Structure, 30, 2022

7AW7

CCAAT-binding complex and HapX bound to Aspergillus nidulans cccA DNA
分子名称:	BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
著者	Huber, E.M, Groll, M.
登録日	2020-11-06
公開日	2022-04-13
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (3.4 Å)
主引用文献	Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX. Structure, 30, 2022

6PGP

Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
分子名称:	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
著者	Mohr, C, Whittington, D.A.
登録日	2019-06-24
公開日	2019-12-25
最終更新日	2020-01-22
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors. J.Med.Chem., 63, 2020

4RIQ

Crystal structure of DPY-30 dimerization/docking domain in complex with Ash2L Sdc1-DPY-30 Interacting region (SDI)
分子名称:	Protein dpy-30 homolog, SULFATE ION, Set1/Ash2 histone methyltransferase complex subunit ASH2
著者	Tremblay, V, Couture, J.-F.
登録日	2014-10-07
公開日	2014-12-17
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.231 Å)
主引用文献	Molecular Basis for DPY-30 Association to COMPASS-like and NURF Complexes. Structure, 22, 2014

6P8Y

Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称:	2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者	Mohr, C.
登録日	2019-06-08
公開日	2019-08-28
最終更新日	2019-10-02
実験手法	X-RAY DIFFRACTION (2.31 Å)
主引用文献	Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. Acs Med.Chem.Lett., 10, 2019

6P8X

Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称:	2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
著者	Mohr, C.
登録日	2019-06-08
公開日	2019-08-28
最終更新日	2019-10-02
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. Acs Med.Chem.Lett., 10, 2019

4R54

Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
分子名称:	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
著者	Pavlovsky, A.G, Viola, R.E.
登録日	2014-08-20
公開日	2014-12-10
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.81 Å)
主引用文献	A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014

9F98

Crystal structure of MUS81-EME1, apo form.
分子名称:	Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81
著者	Collie, G.W.
登録日	2024-05-07
公開日	2024-07-03
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

9F9M

Crystal structure of MUS81-EME1 bound by compound 21.
分子名称:	5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者	Collie, G.W.
登録日	2024-05-08
公開日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.469 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

9F9K

Crystal structure of MUS81-EME1 bound by compound 15.
分子名称:	5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者	Collie, G.W.
登録日	2024-05-07
公開日	2024-07-03
実験手法	X-RAY DIFFRACTION (2.728 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

9F99

Crystal structure of MUS81-EME1 bound by compound 10.
分子名称:	2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者	Collie, G.W.
登録日	2024-05-07
公開日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.803 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

9F9L

Crystal structure of MUS81-EME1 bound by compound 16.
分子名称:	2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者	Collie, G.W.
登録日	2024-05-07
公開日	2024-07-03
実験手法	X-RAY DIFFRACTION (2.02 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

9F9A

Crystal structure of MUS81-EME1 bound by compound 12.
分子名称:	2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者	Collie, G.W.
登録日	2024-05-07
公開日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.911 Å)
主引用文献	Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024

7SSM

Crystal structure of human STING R232 in complex with compound 11
分子名称:	2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者	Sack, J.S, Critton, D.A.
登録日	2021-11-11
公開日	2022-02-09
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.96 Å)
主引用文献	Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022

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