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4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
Descriptor: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
8EF3
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BU of 8ef3 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ119-D
Descriptor: rhMZ119-D antibody heavy chain, rhMZ119-D antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023
4X18
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BU of 4x18 by Molmil
[Ru(TAP)2(dppz-11-Me)]2+ bound to d(TCGGCGCCGA)
Descriptor: (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, CHLORIDE ION, ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2014-11-24
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
4X1A
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BU of 4x1a by Molmil
Lambda-[Ru(TAP)2(dppz-10,12-Me)]2+ bound to d(TCGGCGCCGA)
Descriptor: (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3')
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2014-11-24
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
Authors:Pederick, J.L, Woolman, J.C, Bruning, J.B.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
5QUO
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BU of 5quo by Molmil
HumRadA1 soaked with 0.2 mM indazole in 10% DMSO
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.342 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUI
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BU of 5qui by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 5 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUQ
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BU of 5quq by Molmil
HumRadA1 soaked with 1 mM indazole in 10% DMSO
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUP
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BU of 5qup by Molmil
HumRadA1 soaked with 0.5 mM indazole in 10% DMSO
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUJ
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BU of 5quj by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight 10 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUK
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BU of 5quk by Molmil
Structure of unliganded HumRadA1.2
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
8EF1
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BU of 8ef1 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ103-A
Descriptor: rhMZ103-A antibody heavy chain, rhMZ103-A antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023
5QUN
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BU of 5qun by Molmil
Structure of unliganded HumRadA1.6
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUM
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BU of 5qum by Molmil
Structure of unliganded HumRadA1.4
Descriptor: RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUL
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BU of 5qul by Molmil
Structure of unliganded HumRadA1.3
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUT
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BU of 5qut by Molmil
HumRadA1 soaked with 10 mM indazole in 10% DMSO
Descriptor: 1H-indazole, PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.248 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUS
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BU of 5qus by Molmil
HumRadA1 soaked with 5 mM indazole in 10% DMSO
Descriptor: 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.247 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
8EOX
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BU of 8eox by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C4HR1_4r
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023

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PDB entries from 2024-10-02

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