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8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
分子名称: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
著者Abdullrahman, A, Cardin, C.J, Hall, J.P.
登録日2023-06-22
公開日2024-07-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA triplex structure with bound ruthenium polypyridyl complexes
To Be Published
8PJL
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BU of 8pjl by Molmil
DNA duplex forming base triplets in minor groove
分子名称: DNA (5'-D(*AP*AP*CP*TP*GP*AP*GP*AP*GP*AP*CP*GP*TP*A)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*TP*CP*TP*CP*AP*GP*TP*C)-3'), MAGNESIUM ION, ...
著者Abdullrahman, A, Cardin, C.J, Hall, J.P.
登録日2023-06-23
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA duplex with triplets bases in minor groove
To Be Published
3E1H
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BU of 3e1h by Molmil
Crystal structure of a type III polyketide synthase PKSIIINc from Neurospora crassa
分子名称: Putative uncharacterized protein
著者Goyal, A, Rahman, A, Sankaranarayanan, R.
登録日2008-08-04
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural insights into biosynthesis of resorcinolic lipids by a type III polyketide synthase in Neurospora crassa
J.Struct.Biol., 162, 2008
8I09
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BU of 8i09 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with butyl gallate
分子名称: CYSTEINE, PHOSPHATE ION, Serine acetyltransferase, ...
著者Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
登録日2023-01-10
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
8I06
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BU of 8i06 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with CoA
分子名称: COENZYME A, CYSTEINE, Serine acetyltransferase
著者Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
登録日2023-01-10
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
8I04
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BU of 8i04 by Molmil
Crystal structure of serine acetyltransferase from Salmonella typhimurium complexed with serine
分子名称: PHOSPHATE ION, SERINE, Serine acetyltransferase
著者Toyomoto, T, Ono, K, Shiba, T, Momitani, K, Zhang, T, Tsutsuki, H, Ishikawa, T, Hoso, K, Hamada, K, Rahman, A, Zhong, H, Akaike, T, Yamamoto, K, Matsuoka, M, Hanaoka, K, Niidome, T, Sawa, T.
登録日2023-01-10
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alkyl gallates inhibit serine O -acetyltransferase in bacteria and enhance susceptibility of drug-resistant Gram-negative bacteria to antibiotics.
Front Microbiol, 14, 2023
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
分子名称: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P, Thrope, J.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
8SED
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BU of 8sed by Molmil
Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1
分子名称: ShKT peptide ShKT-Ts1
著者Sanches, K, Siedoks, A.A, Wai, D.C.C, Norton, R.S.
登録日2023-04-09
公開日2023-10-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni.
Proteins, 92, 2024
6TW0
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BU of 6tw0 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TWF
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BU of 6twf by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Pippel, J, Strater, N.
登録日2020-01-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TVX
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BU of 6tvx by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TVE
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BU of 6tve by Molmil
Unliganded human CD73 (5'-nucleotidase) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
2FPF
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BU of 2fpf by Molmil
Crystal structure of the ib1 sh3 dimer at low resolution
分子名称: C-jun-amino-terminal kinase interacting protein 1
著者Kristensen, O, Dar, I, Gajhede, M.
登録日2006-01-16
公開日2006-02-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
2FPD
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BU of 2fpd by Molmil
Sad structure determination: crystal structure of the intrinsic dimerization sh3 domain of the ib1 scaffold protein
分子名称: C-jun-amino-terminal kinase interacting protein 1, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Kristensen, O, Dar, I, Gajhede, M.
登録日2006-01-16
公開日2006-02-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
2FPE
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BU of 2fpe by Molmil
Conserved dimerization of the ib1 src-homology 3 domain
分子名称: C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ...
著者Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O.
登録日2006-01-16
公開日2006-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
8VVB
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BU of 8vvb by Molmil
Influenza antibody L5A7 Fab
分子名称: L5A7 Heavy Chain, L5A7 Light Chain
著者Harris, D.R, Olia, A.S, Kwong, P.D.
登録日2024-01-30
公開日2024-05-22
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
8VUE
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BU of 8vue by Molmil
L5A7 Fab bound to Indonesia2005 Hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Olia, A.S, Gorman, J, Kwong, P.D.
登録日2024-01-29
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
8VUZ
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BU of 8vuz by Molmil
L5A7 Fab bound to 28H6E11 anti-idiotype Fab
分子名称: 28H6E11 Fab Heavy Chain, 28H6E11 Fab Light Chain, L5A7 Fab Heavy Chain, ...
著者Olia, A.S, Morano, N.C, Kwong, P.D.
登録日2024-01-30
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
6S7H
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BU of 6s7h by Molmil
Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state
分子名称: (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ...
著者Pippel, J, Strater, N.
登録日2019-07-04
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
6S7F
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BU of 6s7f by Molmil
Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
著者Pippel, J, Strater, N.
登録日2019-07-04
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
6TVG
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BU of 6tvg by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
分子名称: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TWA
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BU of 6twa by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Pippel, J, Strater, N.
登録日2020-01-12
公開日2020-02-19
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020

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