Author results

6NUP
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STRUCTURE OF THIOREDOXIN (TRXA) FROM RICKETTSIA PROWAZEKII STR. MADRID E.
分子名称:Thioredoxin, CITRIC ACID
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-01
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of thioredoxin (trxA) from Rickettsia prowazekii str. Madrid E.
to be published
6NBM
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CRYSTAL STRUCTURE OF ENOLASE FROM LEGIONELLA PNEUMOPHILA BOUND TO PHOSPHATE AND MAGNESIUM
分子名称:Enolase, MAGNESIUM ION, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-07
公開日2019-01-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF ENOLASE FROM LEGIONELLA PNEUMOPHILA BOUND TO PHOSPHATE AND MAGNESIUM
To Be Published
6NB2
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CRYSTAL STRUCTURE OF ENOLASE FROM LEGIONELLA PNEUMOPHILA BOUND TO 2-PHOSPHOGLYCERIC ACID AND MAGNESIUM
分子名称:Enolase, 2-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-01-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CRYSTAL STRUCTURE OF ENOLASE FROM LEGIONELLA PNEUMOPHILA BOUND TO 2-PHOSPHOGLYCERIC ACID AND MAGNESIUM
To Be Published
6MJ9
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CRYSTAL STRUCTURE OF UBIQUITIN-CONJUGATING ENZYME FROM NAEGLERIA FOWLERI, APO FORM
分子名称:Ubiquitin-conjugating enzyme
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-09-20
公開日2018-10-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CRYSTAL STRUCTURE OF UBIQUITIN-CONJUGATING ENZYME FROM NAEGLERIA FOWLERI, APO FORM
To Be Published
6EP9
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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:Tyrosine-protein kinase BTK, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
著者Kuglstatter, A., Wong, A.
登録日2017-10-11
公開日2018-08-22
最終更新日2019-03-20
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
6CFP
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CRYSTAL STRUCTURE OF POLYMERASE ACID PROTEIN (PA) FROM INFLUENZA A VIRUS, WILSON-SMITH/1933 (H1N1) BOUND TO FRAGMENT HIT BSI-70565 1-{1-[4-FLUOROPHENYL)METHYL]-2-METHYL-1H-IMIDAZOL-4-YL}ETHAN-1-ONE
分子名称:Ubiquitin-like protein SMT3,Polymerase acidic protein, 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one, DIMETHYL SULFOXIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-02-15
公開日2018-04-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献CRYSTAL STRUCTURE OF POLYMERASE ACID PROTEIN (PA) FROM INFLUENZA A VIRUS, WILSON-SMITH/1933 (H1N1) BOUND TO FRAGMENT HIT BSI-70565 1-{1-[4-FLUOROPHENYL)METHYL]-2-METHYL-1H-IMIDAZOL-4-YL}ETHAN-1-ONE
To Be Published
6C87
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CRYSTAL STRUCTURE OF RAB GDP DISSOCIATION INHIBITOR ALPHA FROM NAEGLERIA FOWLERI
分子名称:Rab GDP dissociation inhibitor alpha, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-01-24
公開日2018-02-14
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
TO BE PUBLISHED
6BQD
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TAF1-BD2 BROMODOMAIN IN COMPLEX WITH (E)-3-(6-(BUT-2-EN-1-YL)-7-OXO-6,7-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDIN-4-YL)-N,N-DIMETHYLBENZAMIDE
分子名称:Transcription initiation factor TFIID subunit 1, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide
著者Murray, J.M., Tang, Y.
登録日2017-11-27
公開日2019-02-20
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.136 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BQA
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BRD9 BROMODOMAIN IN COMPLEX WITH 3-(6-(BUT-3-EN-1-YL)-7-OXO-6,7-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDIN-4-YL)-N,N-DIMETHYLBENZAMIDE
分子名称:Bromodomain-containing protein 9, 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide
著者Murray, J.M., Tang, Y.
登録日2017-11-27
公開日2018-11-14
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.031 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BLN
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BTK COMPLEX WITH COMPOUND 13
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ...
著者Kiefer, J.R., Eigenbrot, C., Yu, C.L.
登録日2017-11-10
公開日2018-11-07
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKW
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BTK COMPLEX WITH COMPOUND 12
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ...
著者Kiefer, J.R., Eigenbrot, C., Yu, C.L.
登録日2017-11-09
公開日2018-11-07
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKH
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BTK COMPLEX WITH COMPOUND 11
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
著者Kiefer, J.R., Eigenbrot, C., Yu, C.L.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKE
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BTK COMPLEX WITH COMPOUND 10
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
著者Kiefer, J.R., Eigenbrot, C., Yu, C.L., Wang, G.X.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BIK
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BTK COMPLEX WITH COMPOUND 7
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, ...
著者Kiefer, J.R., Eigenbrot, C., Yu, C.L.
登録日2017-11-02
公開日2018-11-07
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6AUB
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CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2815
分子名称:Tyrosine-protein kinase BTK, SULFATE ION, 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
著者Davies, D.R., Staker, B.L.
登録日2017-08-31
公開日2018-09-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献To Be Determined
TO BE PUBLISHED
6AUA
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CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2625
分子名称:Tyrosine-protein kinase BTK, GLYCEROL, SULFATE ION, ...
著者Davies, D.R., Staker, B.L.
登録日2017-08-31
公開日2018-09-12
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献To Be Determined
TO BE PUBLISHED
6APR
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STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
分子名称:RHIZOPUSPEPSIN, PEPSTATIN
著者Suguna, K., Davies, D.R.
登録日1989-08-03
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
5W8L
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 59 AND NADH
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R., Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29 AND NADH
分子名称:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Lukacs, C.M., Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8J
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29
分子名称:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, MALONIC ACID, ...
著者Lukacs, C.M., Moulin, A.
登録日2017-06-21
公開日2018-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8I
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 23 AND ZINC
分子名称:L-lactate dehydrogenase A chain, ZINC ION, 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Lukacs, C.M., Abendroth, J.
登録日2017-06-21
公開日2018-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 11
分子名称:L-lactate dehydrogenase A chain, 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
著者Lukacs, C.M., Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5VT6
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CRYSTAL STRUCTURE OF ACETOACETYL-COA REDUCTASE FROM BURKHOLDERIA PSEUDOMALLEI 1710B COMPLEXED WITH NADP
分子名称:Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ACETATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-05-15
公開日2017-05-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
To be Published
5VPV
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CRYSTAL STRUCTURE OF APO CRYPTOCOCCUS NEOFORMANS H99 ACETYL-COA SYNTHETASE WITH AN ACETYLATED ACTIVE SITE LYSINE
分子名称:Acetyl-coenzyme A synthetase, GLYCEROL, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D., Davies, D.R., Calhoun, B.
登録日2017-05-05
公開日2017-05-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine
to be published
5VIR
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CRYSTAL STRUCTURE OF PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE FROM MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH NADP AND COMPOUND FOL0091
分子名称:Probable nicotinate-nucleotide adenylyltransferase, 1H,3H-naphtho[1,8-cd]pyran-1-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-17
公開日2017-04-26
最終更新日2017-05-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcesus in complex with NADP and compound FOL0091
to be published