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c-KIT kinase domain in complex with avapritinib derivative 12
分子名称:	Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate
著者	Teuber, A, Mueller, M.P, Rauh, D.
登録日	2023-07-11
公開日	2023-12-27
最終更新日	2024-08-07
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024

8PQK

APO crystal structure of PDGFRA-T674I kinase domain
分子名称:	Platelet-derived growth factor receptor alpha
著者	Teuber, A, Mueller, M.P, Rauh, D.
登録日	2023-07-11
公開日	2023-12-27
最終更新日	2024-08-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024

8PQD

c-KIT kinase domain in complex with avapritinib derivative 10
分子名称:	Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide
著者	Teuber, A, Mueller, M.P, Rauh, D.
登録日	2023-07-11
公開日	2023-12-27
最終更新日	2024-08-07
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024

4WEC

Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis
分子名称:	1,2-ETHANEDIOL, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2014-09-09
公開日	2014-10-08
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis to be published

3K31

Crystal structure of eonyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum in complex with nad at 1.9a resolution
分子名称:	1,2-ETHANEDIOL, Enoyl-(Acyl-carrier-protein) reductase, GLYCEROL, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2009-09-30
公開日	2009-10-20
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystal structure of eonyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum in complex with nad at 1.9a resolution to be published

7NH4

Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
分子名称:	ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者	Landel, I, Mueller, M.P, Rauh, D.
登録日	2021-02-10
公開日	2021-09-08
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021

7NH5

Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
分子名称:	ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
著者	Landel, I, Mueller, M.P, Rauh, D.
登録日	2021-02-10
公開日	2021-09-08
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021

6ONA

Crystal structure of Influenza hemagglutinin from strain A/Hickox/JY2/1940
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	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2019-04-20
公開日	2019-05-01
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site. Sci Rep, 13, 2023

2DKV

Crystal structure of class I chitinase from Oryza sativa L. japonica
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, chitinase
著者	Kezuka, Y, Nishizawa, Y, Watanabe, T, Nonaka, T.
登録日	2006-04-14
公開日	2007-05-01
最終更新日	2020-01-01
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010

5IT4

Crystal structure of Mycobacterium avium SerB2 mutant D343N
分子名称:	MAGNESIUM ION, Phosphoserine phosphatase
著者	Shree, S, Ramachandran, R.
登録日	2016-03-16
公開日	2016-04-27
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.102 Å)
主引用文献	Crystal Structure of Mycobacterium avium SerB2 mutant D343N (MAV_3907) at pH 6.6 To be published

5IT0

Crystal structure of Mycobacterium avium SerB2 mutant D343N/D347N
分子名称:	MAGNESIUM ION, Phosphoserine phosphatase
著者	Shree, S, Ramachandran, R.
登録日	2016-03-16
公開日	2016-04-27
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.968 Å)
主引用文献	Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) active site mutant D343N/D347N To be published

6XDH

Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2
分子名称:	1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ...
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2020-06-10
公開日	2020-06-17
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 to be published

6XRS

Crystal structure of a GTP-binding protein EngA (Der homolog) from Neisseria gonorrhoeae bound to GDP
分子名称:	CHLORIDE ION, GTPase Der, GUANOSINE-5'-DIPHOSPHATE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2020-07-13
公開日	2020-09-23
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Crystal structure of a GTP-binding protein EngA (Der homolog) from Neisseria gonorrhoeae bound to GDP To Be Published

4MPQ

Crystal structure of1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis ATCC 23457
分子名称:	1,2-ETHANEDIOL, Dihydrodipicolinate synthetase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2013-09-13
公開日	2013-09-25
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Crystal structure of1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis ATCC 23457 To be Published

6ONN

Crystal structure of 8-amino-7-oxononanoate synthase from Burkholderia phymatum
分子名称:	8-amino-7-oxononanoate synthase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2019-04-22
公開日	2019-05-01
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystal structure of 8-amino-7-oxononanoate synthase from Burkholderia phymatum To be published

6OSR

Crystal structure of Influenza hemagglutinin from strain A/Melbourne/1/1946(H1N1)
分子名称:	1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2019-05-02
公開日	2019-05-15
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site. Sci Rep, 13, 2023

5O2M

p130Cas SH3 domain
分子名称:	Breast cancer anti-estrogen resistance 1
著者	Hexnerova, R, Veverka, V.
登録日	2017-05-22
公開日	2017-09-20
最終更新日	2024-06-19
実験手法	SOLUTION NMR
主引用文献	Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. Sci Rep, 7, 2017

5O2P

p130Cas SH3 domain PTP-PEST peptide chimera
分子名称:	Breast cancer anti-estrogen resistance 1,Tyrosine-protein phosphatase non-receptor type 12
著者	Hexnerova, R, Veverka, V.
登録日	2017-05-22
公開日	2017-09-20
最終更新日	2024-06-19
実験手法	SOLUTION NMR
主引用文献	Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. Sci Rep, 7, 2017

5O2Q

p130Cas SH3 domain Vinculin peptide chimera
分子名称:	Breast cancer anti-estrogen resistance 1,Vinculin
著者	Hexnerova, R, Veverka, V.
登録日	2017-05-22
公開日	2017-09-20
最終更新日	2024-06-19
実験手法	SOLUTION NMR
主引用文献	Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. Sci Rep, 7, 2017

5IF8

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-2643 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
分子名称:	1,2-ETHANEDIOL, 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine, CHLORIDE ION, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-25
公開日	2017-02-22
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IFB

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4719 5-chloro-2-(1H-imidazol-1-yl)aniline
分子名称:	5-chloro-2-(1H-imidazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-25
公開日	2017-02-22
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IFZ

Crystal Structure of Ribose-5-phosphate Isomerase from Brucella melitensis 16M
分子名称:	Ribose 5-phosphate isomerase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-26
公開日	2016-04-13
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Crystal Structure of Ribose-5-phosphate Isomerase from Brucella melitensis 16M to be published

5IF7

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-279 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称:	DIMETHYL SULFOXIDE, N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Polymerase acidic protein
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-25
公開日	2017-02-22
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IDY

Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
分子名称:	1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-24
公開日	2016-03-16
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP to be published

6E54

Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802
分子名称:	(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, CALCIUM ION, ...
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2018-07-19
公開日	2019-06-26
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 to be published

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