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1OZ0
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BU of 1oz0 by Molmil
CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.
分子名称: 2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
著者Wolan, D.W, Greasley, S.E, Wall, M.J, Benkovic, S.J, Wilson, I.A.
登録日2003-04-07
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Avian AICAR Transformylase with a Multisubstrate Adduct Inhibitor beta-DADF Identifies the Folate Binding Site.
Biochemistry, 42, 2003
2B1I
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BU of 2b1i by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
著者Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2005-09-15
公開日2006-11-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
2B1G
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BU of 2b1g by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
著者Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2005-09-15
公開日2006-11-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
3KRJ
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BU of 3krj by Molmil
cFMS tyrosine kinase in complex with 4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide
分子名称: 4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide, ACETATE ION, Macrophage colony-stimulating factor 1 receptor, ...
著者Schubert, C.
登録日2009-11-18
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
J.Med.Chem., 54, 2011
3KRL
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BU of 3krl by Molmil
cFMS Tyrosine kinase in complex with 5-Cyano-furan-2-carboxylic acid [4-(4-methyl-piperazin-1-yl)-2-piperidin-1-yl-phenyl]-amide
分子名称: 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide, Macrophage colony-stimulating factor 1 receptor, Basic fibroblast growth factor receptor 1, ...
著者Schubert, C.
登録日2009-11-18
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
J.Med.Chem., 54, 2011
1THZ
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BU of 1thz by Molmil
Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening
分子名称: 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION
著者Xu, L, Li, C, Olson, A.J, Wilson, I.A.
登録日2004-06-01
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.
J.Biol.Chem., 279, 2004
2IU3
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BU of 2iu3 by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-27
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
2IU0
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BU of 2iu0 by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-26
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
6CLU
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BU of 6clu by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
分子名称: Dihydropteroate synthase
著者Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
登録日2018-03-02
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
6CLV
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BU of 6clv by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
分子名称: 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
登録日2018-03-02
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
6PKA
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BU of 6pka by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-06-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
6PMD
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BU of 6pmd by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, SHV-WFP-SER-PRO-YCP-ALA-MP8 Acyldepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-07-01
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
5JQ9
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BU of 5jq9 by Molmil
Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16
分子名称: 1,2-ETHANEDIOL, 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Wu, Y, White, S.W.
登録日2016-05-04
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Bioorg.Med.Chem.Lett., 26, 2016
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2017-05-26
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
分子名称: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2017-06-02
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
7JLS
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BU of 7jls by Molmil
RV3666c bound to tripeptide
分子名称: Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA
著者Lee, R.E, Griffith, E.C, Miller, D.J.
登録日2020-07-30
公開日2021-06-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket.
Tuberculosis (Edinb), 132, 2021

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件を2024-08-14に公開中

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