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X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP
分子名称:	1,2-ETHANEDIOL, Aminotransferase, class IV
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2014-06-27
公開日	2014-07-30
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP To Be Published

4ER1

THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称:	ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
著者	Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日	1990-10-14
公開日	1991-01-15
最終更新日	2017-11-29
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The active site of aspartic proteinases FEBS Lett., 174, 1984

1BKS

TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM
分子名称:	PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE
著者	Hyde, C.C.
登録日	1998-07-10
公開日	1999-03-23
最終更新日	2023-08-02
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex. Biochemistry, 35, 1996

8D57

Crystal Structure of dihydrodipicolinate reductase from Acinetobacter baumannii
分子名称:	4-hydroxy-tetrahydrodipicolinate reductase, CITRIC ACID
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2022-06-04
公開日	2022-06-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Crystal Structure of dihydrodipicolinate reductase from Acinetobacter baumannii to be published

8DU0

Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
分子名称:	GDP-L-fucose synthase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2022-07-26
公開日	2022-08-10
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis to be published

4NI7

Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
分子名称:	Interleukin-6, SODIUM ION, SOMAmer SL1025
著者	Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日	2013-11-05
公開日	2014-01-22
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand. J.Biol.Chem., 289, 2014

4NI9

Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
分子名称:	Interleukin-6, SODIUM ION, SOMAmer SL1025
著者	Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日	2013-11-05
公開日	2014-01-22
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand. J.Biol.Chem., 289, 2014

6EP9

Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
分子名称:	N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2017-10-11
公開日	2018-08-22
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.01 Å)
主引用文献	Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J.Comput.Aided Mol.Des., 33, 2019

7U5Q

Crystal structure of transcriptional regulator, GntR family, from Brucella melitensis
分子名称:	BROMIDE ION, Transcriptional regulator, GntR family protein, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2022-03-02
公開日	2022-03-09
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Crystal structure of transcriptional regulator, GntR family, from Brucella melitensis To be Published

7U5Y

Crystal structure of ribulose-phosphate 3-epimerase from Pseudomonas aeruginosa
分子名称:	Ribulose-phosphate 3-epimerase, ZINC ION
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2022-03-02
公開日	2022-03-09
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Crystal structure of ribulose-phosphate 3-epimerase from Pseudomonas aeruginosa To be Published

4YET

X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD
分子名称:	FE (III) ION, Superoxide dismutase
著者	Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2015-02-24
公開日	2015-04-15
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures. Acta Crystallogr.,Sect.F, 71, 2015

5K0T

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415
分子名称:	1,2-ETHANEDIOL, 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, Methionine--tRNA ligase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-05-17
公開日	2016-05-25
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis. Plos One, 11, 2016

5K0S

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1312
分子名称:	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, Methionine--tRNA ligase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-05-17
公開日	2016-05-25
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis. Plos One, 11, 2016

5IEQ

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-747 1-(4-chlorophenyl)-1H-imidazole
分子名称:	1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, DIMETHYL SULFOXIDE, 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	2024-03-06
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IF2

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-576 (5,6-dichloro-1H-1,3-benzodiazol-2-yl)methanol
分子名称:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol, 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	2024-03-06
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IFD

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4721 1-(4-fluorophenyl)-1H-imidazole
分子名称:	1-(4-fluorophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, 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	2024-03-06
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

5IF5

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to EBSI-39 (2,3-dichlorophenyl)methanol
分子名称:	(2,3-dichlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2016-02-25
公開日	2017-03-08
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA To Be Published

5IFC

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4720 1-(4-bromophenyl)-1H-imidazole
分子名称:	1-(4-bromophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, 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	2024-03-06
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

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

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

5HAL

Crystal Structure of a putative beta-lactamase from Burkholderia vietnamiensis
分子名称:	1,2-ETHANEDIOL, Uncharacterized protein
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2015-12-30
公開日	2016-01-13
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.1507 Å)
主引用文献	Crystal Structure of a putative beta-lactamase from Burkholderia vietnamiensis to be published

3GNC

Crystal structure of Glutaryl-COA dehydrogenase from Burkholderia Pseudomallei with fragment 6421
分子名称:	1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaryl-CoA dehydrogenase, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2009-03-16
公開日	2009-07-07
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening. Acta Crystallogr.,Sect.F, 67, 2011

3GQT

Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine
分子名称:	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine, Glutaryl-CoA dehydrogenase
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2009-03-24
公開日	2009-04-28
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.99 Å)
主引用文献	Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening. Acta Crystallogr.,Sect.F, 67, 2011

3IUR

apPEP_D266Nx+H2H3 opened state
分子名称:	GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
著者	Chiu, T.K.
登録日	2009-08-31
公開日	2010-05-05
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Induced-fit mechanism for prolyl endopeptidase J.Biol.Chem., 285, 2010

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