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8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
Descriptor: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Putative uncharacterized protein
Authors:Goyal, A, Rahman, A, Sankaranarayanan, R.
Deposit date:2008-08-04
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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
Descriptor: CYSTEINE, PHOSPHATE ION, Serine acetyltransferase, ...
Authors: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.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: COENZYME A, CYSTEINE, Serine acetyltransferase
Authors: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.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: PHOSPHATE ION, SERINE, Serine acetyltransferase
Authors: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.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Campobasso, N, Ward, P, Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite: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
Descriptor: ShKT peptide ShKT-Ts1
Authors:Sanches, K, Siedoks, A.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-09
Release date:2023-10-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni.
Proteins, 92, 2024
6TVG
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BU of 6tvg by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
Descriptor: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-01-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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
Descriptor: (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ...
Authors:Pippel, J, Strater, N.
Deposit date:2019-07-04
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
Authors:Pippel, J, Strater, N.
Deposit date:2019-07-04
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
8VVB
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BU of 8vvb by Molmil
Influenza antibody L5A7 Fab
Descriptor: L5A7 Heavy Chain, L5A7 Light Chain
Authors:Harris, D.R, Olia, A.S, Kwong, P.D.
Deposit date:2024-01-30
Release date:2024-05-22
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Olia, A.S, Gorman, J, Kwong, P.D.
Deposit date:2024-01-29
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite: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
Descriptor: 28H6E11 Fab Heavy Chain, 28H6E11 Fab Light Chain, L5A7 Fab Heavy Chain, ...
Authors:Olia, A.S, Morano, N.C, Kwong, P.D.
Deposit date:2024-01-30
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
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
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-12
Release date:2020-02-19
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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
Descriptor: 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
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-13
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-01-09
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: C-jun-amino-terminal kinase interacting protein 1
Authors:Kristensen, O, Dar, I, Gajhede, M.
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: C-jun-amino-terminal kinase interacting protein 1, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Kristensen, O, Dar, I, Gajhede, M.
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O.
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006

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