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3L4T
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BU of 3l4t by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with BJ2661
Descriptor: (1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltase-glucoamylase, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-02-25
Release date:2023-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
Descriptor: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
Authors:Wang, X, Wang, Z.
Deposit date:2022-03-26
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
7Z4V
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BU of 7z4v by Molmil
Structure of Serine-Threonine kinase STK25 in complex with compound
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
Authors:Nawrotek, A, Vuillard, L, Miallau, L.
Deposit date:2022-03-04
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Bioorg.Med.Chem.Lett., 75, 2022
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
Deposit date:2023-05-17
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Neutralizing antibodies induced in non-human primates by germline targeting Env trimer
To Be Published
7DNF
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BU of 7dnf by Molmil
DARPin 63_B7 in complex with V3-IY (MN) crown mimetic
Descriptor: DARPin 63_B7, SULFATE ION, V3-IY (MN) crown mimetic peptide
Authors:Wu, Y, Plueckthun, A.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7DNG
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BU of 7dng by Molmil
DARPin 63_B7 in complex with linear V3-crown (MN) peptide
Descriptor: DARPin 63_B7, linear V3-crown (MN) peptide
Authors:Wu, Y, Plueckthun, A.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7DNE
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BU of 7dne by Molmil
DARPin 5m3_D12 in complex with V3-IY (MN) crown mimetic
Descriptor: DARPin 5m3_D12, V3-IY (MN) crown mimetic peptide
Authors:Wu, Y, Plueckthun, A.
Deposit date:2020-12-09
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4F9N
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BU of 4f9n by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein
Authors:Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-05-19
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
To be Published
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
Descriptor: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
6LD2
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BU of 6ld2 by Molmil
Zika NS5 polymerase domain
Descriptor: (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
1CYJ
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BU of 1cyj by Molmil
CYTOCHROME C6
Descriptor: CADMIUM ION, CYTOCHROME C6, HEME C
Authors:Kerfeld, C.A, Yeates, T.O.
Deposit date:1995-05-09
Release date:1996-01-29
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of chloroplast cytochrome c6 at 1.9 A resolution: evidence for functional oligomerization.
J.Mol.Biol., 250, 1995
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
Descriptor: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Xie, X, Jacobs, M.D.
Deposit date:2009-02-12
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G5O
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BU of 3g5o by Molmil
The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-02-05
Release date:2009-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
6LD1
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BU of 6ld1 by Molmil
Zika NS5 polymerase domain
Descriptor: 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6LD5
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BU of 6ld5 by Molmil
Zika NS5 polymerase domain
Descriptor: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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