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The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor
分子名称:	CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9
著者	Spraggon, G, Hampton, E.N.
登録日	2010-03-02
公開日	2011-03-16
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (7.01 Å)
主引用文献	The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor To be Published

4E9L

FdeC, a Novel Broadly Conserved Escherichia coli Adhesin Eliciting Protection against Urinary Tract Infections
分子名称:	Attaching and effacing protein, pathogenesis factor
著者	Spraggon, G, Nesta, B, Alteri, C, Gomes Moriel, D, Rosini, R, Veggi, D, Smith, S, Bertoldi, I, Pastorello, I, Ferlenghi, I, Fontana, M.R, Frankel, G, Mobley, H.L.T, Rappuoli, R, Pizza, M, Serino, L, Soriana, M.
登録日	2012-03-21
公開日	2012-04-25
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	FdeC, a novel broadly conserved Escherichia coli adhesin eliciting protection against urinary tract infections. MBio, 3, 2012

2HH5

Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
分子名称:	CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
著者	Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
登録日	2006-06-27
公開日	2006-08-15
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg.Med.Chem.Lett., 16, 2006

3E16

X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
分子名称:	DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
著者	Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日	2008-08-01
公開日	2008-09-09
最終更新日	2021-10-20
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008

3E0P

The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
分子名称:	GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
著者	Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日	2008-07-31
公開日	2008-09-09
最終更新日	2021-10-20
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008

4Z49

Homo Sapiens Fatty Acid Synthetase, Thioesterase Domain at 1.7 Angstroms Resolution
分子名称:	Fatty acid synthase, POTASSIUM ION
著者	Spraggon, G.
登録日	2015-04-01
公開日	2016-03-16
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis. J.Chem.Inf.Model., 55, 2015

2OP3

The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method
分子名称:	2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ...
著者	Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A.
登録日	2007-01-26
公開日	2007-05-22
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007

2F1G

Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
分子名称:	Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
著者	Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日	2005-11-14
公開日	2006-04-04
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006

2HHN

Cathepsin S in complex with non covalent arylaminoethyl amide.
分子名称:	Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION
著者	Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日	2006-06-28
公開日	2007-05-08
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006

5LOZ

STRUCTURE OF YEAST ENT1 ENTH DOMAIN
分子名称:	Epsin-1
著者	Tanner, N, Prag, G.
登録日	2016-08-11
公開日	2016-10-05
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	A bacterial genetic selection system for ubiquitylation cascade discovery. Nat.Methods, 13, 2016

5LN1

STRUCTURE OF UBIQUITYLATED-RPN10 FROM YEAST;
分子名称:	26S proteasome regulatory subunit RPN10, Polyubiquitin-B
著者	Keren-Kaplan, T, Attali, I, Levin-Kravets, O, Prag, G.
登録日	2016-08-02
公開日	2016-10-19
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (3.14 Å)
主引用文献	Structure of ubiquitylated-Rpn10 provides insight into its autoregulation mechanism. Nat Commun, 7, 2016

4Z9S

Non-covalent assembly of monoubiquitin that mimics K11 poly-ubiquitin
分子名称:	MALONIC ACID, THIOCYANATE ION, Ubiquitin-40S ribosomal protein S27a
著者	Levin-Kravets, O, Prag, G.
登録日	2015-04-11
公開日	2015-07-29
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Tetrameric Assembly of Monoubiquitin Accurately Mimics the Lys11 Polyubiquitin Chain Structure. Biochemistry, 54, 2015

5OJW

S. cerevisiae UBC13 - MMs2 complex
分子名称:	Ubiquitin-conjugating enzyme E2 13, Ubiquitin-conjugating enzyme variant MMS2
著者	Sharon, I, Rathi, R, Levin-Kravets, O, Attali, I, Prag, G.
登録日	2017-07-24
公開日	2017-08-02
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	S. cerevisiae UBC13 - MMs2 complex To Be Published

1FFR

CRYSTAL STRUCTURE OF CHITINASE A MUTANT Y390F COMPLEXED WITH HEXA-N-ACETYLCHITOHEXAOSE (NAG)6
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
著者	Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
登録日	2000-07-26
公開日	2001-09-26
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001

5LP0

CRYSTAL STRUCTURE OF THE ZEBRA FISH ENTH DOMAIN FROM EPSIN1 IN 1.41 ANGSTROM RESOLUTION
分子名称:	Epsin 1, PHOSPHATE ION
著者	Levin-Kravets, O, Prag, G.
登録日	2016-08-11
公開日	2016-10-05
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.41 Å)
主引用文献	A bacterial genetic selection system for ubiquitylation cascade discovery. Nat.Methods, 13, 2016

1U5T

Structure of the ESCRT-II endosomal trafficking complex
分子名称:	Defective in vacuolar protein sorting; Vps36p, Hypothetical 23.6 kDa protein in YUH1-URA8 intergenic region, appears to be functionally related to SNF7; Snf8p
著者	Hierro, A, Sun, J, Rusnak, A.S, Kim, J, Prag, G, Emr, S.D, Hurley, J.H.
登録日	2004-07-28
公開日	2004-09-21
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (3.6 Å)
主引用文献	Structure of ESCRT-II endosomal trafficking complex Nature, 431, 2004

1EIB

CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
著者	Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
登録日	2000-02-25
公開日	2001-02-25
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001

1EHN

CRYSTAL STRUCTURE OF CHITINASE A MUTANT E315Q COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
著者	Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
登録日	2000-02-22
公開日	2001-02-22
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001

6CUJ

Crystal structure of the C-terminal domain of neisserial heparin binding antigen (NHBA)
分子名称:	Gna2132
著者	Malito, E, Spraggon, G.
登録日	2018-03-26
公開日	2018-09-26
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.805 Å)
主引用文献	Structures of NHBA elucidate a broadly conserved epitope identified by a vaccine induced antibody. PLoS ONE, 13, 2018

7KFA

PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
分子名称:	1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者	Chopra, R, Xu, M, Spraggon, G.
登録日	2020-10-13
公開日	2021-11-10
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022

6WYS

Lon protease proteolytic domain
分子名称:	Lon protease homolog, mitochondrial, SULFATE ION
著者	Lee, C.C, Spraggon, G.
登録日	2020-05-13
公開日	2021-04-14
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.229 Å)
主引用文献	Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021

6WZV

Lon protease proteolytic domain
分子名称:	Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
著者	Lee, C.C, Spraggon, G.
登録日	2020-05-14
公開日	2021-04-14
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.51 Å)
主引用文献	Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021

6X27

Lon protease proteolytic domain complexed with bortezomib
分子名称:	GLYCEROL, Lon protease homolog, mitochondrial, ...
著者	Lee, C.C, Spraggon, G.
登録日	2020-05-20
公開日	2021-04-14
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021

6X1M

Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
分子名称:	Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
著者	Lee, C.C, Spraggon, G.
登録日	2020-05-19
公開日	2021-04-14
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (3.51 Å)
主引用文献	Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021

5W5O

Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称:	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者	Kreusch, A, Spraggon, G.
登録日	2017-06-15
公開日	2017-10-25
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.89 Å)
主引用文献	Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017

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