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6OP0
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BU of 6op0 by Molmil
Asymmetric hTNF-alpha
分子名称: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor
著者Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T.
登録日2019-04-23
公開日2019-12-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
分子名称: ENDOTHIAPEPSIN, H-142
著者Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
4ER1
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BU of 4er1 by Molmil
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-y l)-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2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
著者Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
3D6B
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BU of 3d6b by Molmil
2.2 A crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei
分子名称: Glutaryl-CoA dehydrogenase, methyl thiophene-2-carboxylate
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-05-19
公開日2008-06-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
1IKQ
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BU of 1ikq by Molmil
Pseudomonas Aeruginosa Exotoxin A, wild type
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
1IKP
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Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, H-189
著者Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
分子名称: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
著者Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
登録日2019-12-20
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
6NUP
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BU of 6nup by Molmil
Structure of thioredoxin (trxA) from Rickettsia prowazekii str. Madrid E.
分子名称: CITRIC ACID, Thioredoxin
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-01
公開日2019-02-20
最終更新日2024-10-16
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
3P0Z
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BU of 3p0z by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL955, 4-(1H-imidazol)-1-yl)phenol
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3MBM
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BU of 3mbm by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
3P10
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BU of 3p10 by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL694, 2-(thiophen-2-yl)phenyl methanol
分子名称: (2-thiophen-2-ylphenyl)methanol, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3RQI
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Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-04-28
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate
To be Published
3QHD
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BU of 3qhd by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955
分子名称: 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-25
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7T7J
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BU of 7t7j by Molmil
Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate
分子名称: PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-15
公開日2022-01-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate
to be published
7U5Y
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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
7U5Q
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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
7SY9
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Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1
分子名称: ACETATE ION, FORMIC ACID, UDP-N-acetylmuramoylalanine--D-glutamate ligase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-11-24
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1
to be published
2ER9
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
分子名称: ENDOTHIAPEPSIN, L363,564
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER7
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X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
分子名称: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
著者Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-11-12
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
分子名称: ENDOTHIAPEPSIN, H-256 peptide
著者Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
登録日1990-10-13
公開日1991-01-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
分子名称: ENDOTHIAPEPSIN, L364,099
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989

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