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PDB: 51689 results

8DW4
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BU of 8dw4 by Molmil
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium
Descriptor: ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-31
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
5D3R
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BU of 5d3r by Molmil
First bromodomain of BRD4 bound to inhibitor XD42
Descriptor: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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
5KI4
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BU of 5ki4 by Molmil
Structural impact of single ribonucleotides in DNA
Descriptor: DNA (5'-D(*AP*TP*CP*CP*GP*GP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3')
Authors:Evich, M, Spring-Connell, A.M, Storici, F.
Deposit date:2016-06-16
Release date:2016-08-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
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
3MSP
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BU of 3msp by Molmil
MOTILE MAJOR SPERM PROTEIN (MSP) OF ASCARIS SUUM, NMR, 20 STRUCTURES
Descriptor: MAJOR SPERM PROTEIN
Authors:Haaf, A, Leclaire III, L, Roberts, G, Kent, H.M, Roberts, T.M, Stewart, M, Neuhaus, D.
Deposit date:1998-09-10
Release date:1999-04-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the motile major sperm protein (MSP) of Ascaris suum - evidence for two manganese binding sites and the possible role of divalent cations in filament formation.
J.Mol.Biol., 284, 1998
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
1CBK
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BU of 1cbk by Molmil
7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE
Descriptor: 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION
Authors:Hennig, M, D'Arcy, A, Dale, G, Oefner, C.
Deposit date:1999-02-26
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae.
J.Mol.Biol., 287, 1999
5JO7
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BU of 5jo7 by Molmil
Henbane premnaspirodiene synthase (HPS), also known as Henbane vetispiradiene synthase (HVS) from Hyoscyamus muticus
Descriptor: Vetispiradiene synthase 1
Authors:Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-05-02
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional study of terpene synthase from 512 mutant library of henbane premnaspirodiene synthase reveals protein residue interactions
To Be Published
3CI1
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BU of 3ci1 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2008-03-10
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
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
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
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
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
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
5GAQ
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BU of 5gaq by Molmil
Cryo-EM structure of the Lysenin Pore
Descriptor: Lysenin
Authors:Savva, C.G, Bokori-Brown, M, Martin, T.G, Titball, R.W, Naylor, C.E, Basak, A.K.
Deposit date:2016-01-05
Release date:2016-04-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of lysenin pore elucidates membrane insertion by an aerolysin family protein
Nat Commun, 7, 2016
3MVF
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BU of 3mvf by Molmil
Crystal Structure of Nitrophorin 4 from Rhodnius prolixus Complexed with Nitrite at pH 7.4
Descriptor: NITRITE ION, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ogata, H, He, C, Knipp, M.
Deposit date:2010-05-04
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Formation of the complex of nitrite with the ferriheme b beta-barrel proteins nitrophorin 4 and nitrophorin 7.
Biochemistry, 49, 2010
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
8DMO
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BU of 8dmo by Molmil
Structure of open, inward-facing MsbA from E. coli
Descriptor: ATP-binding transport protein MsbA
Authors:Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2022-07-08
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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
8DMM
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BU of 8dmm by Molmil
Structure of the vanadate-trapped MsbA bound to KDL
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA
Authors:Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2022-07-08
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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
8EAL
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BU of 8eal by Molmil
SsoMCM hexamer bound to Mg/ADP-BeFx and DNA. Class 1. Merged particles from datasets with 3 different DNA entities
Descriptor: DNA, MAGNESIUM ION, Minichromosome maintenance protein MCM, ...
Authors:Meagher, M, Myasnikov, A, Enemark, E.J.
Deposit date:2022-08-29
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation.
Int J Mol Sci, 23, 2022
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

224572

数据于2024-09-04公开中

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