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Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
分子名称:	CALCIUM ION, CALMODULIN, POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY KQT MEMBER 1, ...
著者	Sachyani, D, Hirsch, J.A.
登録日	2014-09-14
公開日	2014-11-05
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.86 Å)
主引用文献	Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin. Structure, 22, 2014

5BPM

Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
分子名称:	ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者	Narayanan, D, Engh, R.A.
登録日	2015-05-28
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.83 Å)
主引用文献	Nucleotide binding to variants of the HSP70-NBD. To Be Published

5BPL

Crystal structure of ADP and Pi bound human Hsp70 NBD mutant R272K.
分子名称:	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者	Narayanan, D, Engh, R.A.
登録日	2015-05-28
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.93 Å)
主引用文献	Nucleotide binding to variants of the HSP70-NBD. To Be Published

5BPN

Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者	Narayanan, D, Engh, R.A.
登録日	2015-05-28
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Nucleotide binding to variants of the HSP70-NBD. To Be Published

5BN8

Crystal structure of nucleotide-free human Hsp70 NBD.
分子名称:	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者	Narayanan, D, Engh, R.A.
登録日	2015-05-25
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.34 Å)
主引用文献	Nucleotide binding to variants of the HSP70-NBD. To Be Published

5BN9

Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称:	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者	Narayanan, D, Engh, R.A.
登録日	2015-05-25
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.689 Å)
主引用文献	Nucleotide binding to variants of the HSP70-NBD. To Be Published

5BX7

PKA in complex with a benzothiophene fragment compound.
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ...
著者	Narayanan, D, Alam, K.A, Engh, R.A.
登録日	2015-06-08
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.89 Å)
主引用文献	PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published

4WGL

Crystal structure of a GroEL D83A/R197A double mutant
分子名称:	60 kDa chaperonin
著者	Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H.
登録日	2014-09-19
公開日	2015-09-30
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (3.13 Å)
主引用文献	Crystal structure of a GroEL D83A/R197A double mutant To Be Published

1AU6

SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称:	BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(CPAPTPGPCPAPTPG)-3')
著者	Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J.
登録日	1997-09-11
公開日	1998-02-25
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA. Nat.Struct.Biol., 2, 1995

1AU5

SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTGGTCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称:	Cisplatin, DNA (5'-D(CPCPTPGPGPTPCPC)-3'), DNA (5'-D(GPGPAPCPCPAPGPG)-3')
著者	Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Wang, A.H.-J.
登録日	1997-09-11
公開日	1998-02-25
最終更新日	2024-04-10
実験手法	SOLUTION NMR
主引用文献	Structure and isomerization of an intrastrand cisplatin-cross-linked octamer DNA duplex by NMR analysis. Biochemistry, 34, 1995

7OF9

Keap1 kelch domain bound to a small molecule fragment
分子名称:	DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFD

Keap1 kelch domain bound to a small molecule fragment
分子名称:	6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFA

Keap1 kelch domain bound to a small molecule fragment
分子名称:	2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.22 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFF

Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称:	(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.37 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFE

Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称:	2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.19 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFC

Keap1 kelch domain bound to a small molecule fragment
分子名称:	DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ...
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.97 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OFB

Keap1 kelch domain bound to a small molecule fragment
分子名称:	DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ...
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

7OF8

Keap1 kelch domain bound to a small molecule fragment
分子名称:	(2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1
著者	Narayanan, D, Bach, A, Gajhede, M.
登録日	2021-05-04
公開日	2022-11-02
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.78 Å)
主引用文献	Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022

3EAB

Crystal structure of Spastin MIT in complex with ESCRT III
分子名称:	CHMP1b, Spastin
著者	Yang, D, Rimanchi, N, Renvoise, B, Lippincott-Schwartz, J, Blackstone, C, Hurley, J.H.
登録日	2008-08-25
公開日	2008-11-11
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Structural basis for midbody targeting of spastin by the ESCRT-III protein CHMP1B. Nat.Struct.Mol.Biol., 15, 2008

1KKH

Crystal Structure of the Methanococcus jannaschii Mevalonate Kinase
分子名称:	1,4-DIETHYLENE DIOXIDE, Mevalonate Kinase
著者	Yang, D, Shipman, L.W, Roessner, C.A, Scott, A.I, Sacchettini, J.C.
登録日	2001-12-08
公開日	2002-03-27
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Structure of the Methanococcus jannaschii mevalonate kinase, a member of the GHMP kinase superfamily. J.Biol.Chem., 277, 2002

4UMO

Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
分子名称:	CALCIUM ION, CALMODULIN, POTASSIUM ION, ...
著者	Sachyani, D, Hirsch, J.A.
登録日	2014-05-20
公開日	2014-11-05
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin Structure, 22, 2014

8DE4

Native serotonin transporter in complex with 15B8 Fab in the presence of methamphetamine
分子名称:	(2S)-N-methyl-1-phenylpropan-2-amine, 15B8 Fab heavy chain variable domain, 15B8 Fab light chain variable domain, ...
著者	Yang, D, Gouaux, E.
登録日	2022-06-19
公開日	2023-07-05
実験手法	ELECTRON MICROSCOPY (2.9 Å)
主引用文献	Native serotonin transporter in complex with 15B8 Fab in the presence of methamphetamine To be published

8DE3

Native serotonin transporter in complex with 15B8 Fab antibody in the presence of cocaine
分子名称:	15B8 Fab heavy chain variable domain, 15B8 Fab light chain variable domain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者	Yang, D, Gouaux, E.
登録日	2022-06-19
公開日	2023-07-05
実験手法	ELECTRON MICROSCOPY (3.3 Å)
主引用文献	Native serotonin transporter in complex with 15B8 Fab antibody in the presence of cocaine To Be Published

3MHV

Crystal Structure of Vps4 and Vta1
分子名称:	Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
著者	Yang, D, Hurley, J.H.
登録日	2010-04-09
公開日	2010-10-06
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	Structural role of the Vps4-Vta1 interface in ESCRT-III recycling Structure, 18, 2010

5BX6

PKA in complex with a halogenated phthalazinone fragment compound.
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者	Narayanan, D, Alam, K.A, Engh, R.A.
登録日	2015-06-08
公開日	2016-09-14
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.89 Å)
主引用文献	PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published

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