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PDB: 1233 results

6S3F
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BU of 6s3f by Molmil
Moringa seed protein Mo-CBP3-4
Descriptor: 2S albumin, CHLORIDE ION, FORMIC ACID, ...
Authors:Moulin, M, Mossou, E, Mitchell, E.P, Haertlein, M, Forsyth, V.T, Rennie, A.R.
Deposit date:2019-06-25
Release date:2019-07-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Towards a molecular understanding of the water purification properties of Moringa seed proteins.
J Colloid Interface Sci, 554, 2019
6RO1
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BU of 6ro1 by Molmil
X-ray crystal structure of the MTR4 NVL complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
Authors:Lingaraju, M, Langer, L.M, Basquin, J, Falk, S, Conti, E.
Deposit date:2019-05-10
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs.
Nat Commun, 10, 2019
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
Authors:Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
Deposit date:2015-07-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
Authors:Welin, M, Kimbung, R, Focht, D.
Deposit date:2019-11-06
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
4ZSC
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BU of 4zsc by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
5CAC
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BU of 5cac by Molmil
REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CARBONIC ANHYDRASE FORM C, SULFITE ION, ZINC ION
Authors:Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A.
Deposit date:1991-09-05
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
6RBP
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BU of 6rbp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBY
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BU of 6rby by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBX
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BU of 6rbx by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBT
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BU of 6rbt by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC0
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BU of 6rc0 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RR2
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BU of 6rr2 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 9-[(2~{S})-oxan-2-yl]purin-6-amine, CITRIC ACID, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2019-05-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RGE
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BU of 6rge by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Descriptor: CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
To Be Published
6RGD
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BU of 6rgd by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RG8
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BU of 6rg8 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RGC
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BU of 6rgc by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
7MQK
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BU of 7mqk by Molmil
AAC(3)-IIIa in complex with CoA and sisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase III, COENZYME A, ...
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2021-05-05
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
7MQL
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BU of 7mql by Molmil
AAC(3)-IIIa in complex with CoA and neomycin
Descriptor: Aminoglycoside N(3)-acetyltransferase III, COENZYME A, FORMIC ACID, ...
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2021-05-05
Release date:2022-07-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
7MQM
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BU of 7mqm by Molmil
AAC(3)-IIIa in complex with CoA and gentamicin
Descriptor: Aminoglycoside N(3)-acetyltransferase III, COENZYME A, GLYCEROL, ...
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2021-05-05
Release date:2022-07-06
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
6RGF
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BU of 6rgf by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Descriptor: CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
To Be Published
3GTA
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BU of 3gta by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ...
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2009-03-27
Release date:2010-03-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010

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