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6PJ3
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BU of 6pj3 by Molmil
Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex
Descriptor: 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
4MTT
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BU of 4mtt by Molmil
Ni- and Zn-bound GloA2 at low resolution
Descriptor: CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ...
Authors:Bythell-Douglas, R, Bond, C.S.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I09
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BU of 6i09 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan obtained by soaking
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I0A
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BU of 6i0a by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with nuded glycan obtained by co-crystallization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
Descriptor: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
Authors:Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
Deposit date:2020-08-02
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
6I05
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BU of 6i05 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa
Descriptor: Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.213 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
3Q7V
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BU of 3q7v by Molmil
Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated Lys392
Descriptor: Beta-lactamase regulatory protein BlaR1, GLYCEROL, SULFATE ION
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
6C59
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BU of 6c59 by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain
Descriptor: ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain
Authors:Wojtaszek, J.L, Zhou, P.
Deposit date:2018-01-15
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
6C8C
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BU of 6c8c by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06
Descriptor: 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
Authors:Najeeb, J, Zhou, P.
Deposit date:2018-01-24
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
3Q81
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BU of 3q81 by Molmil
Imipenem acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q82
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BU of 3q82 by Molmil
Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
7LAM
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BU of 7lam by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LAQ
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BU of 7laq by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
5Y2T
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BU of 5y2t by Molmil
Structure of PPARgamma ligand binding domain - lobeglitazone complex
Descriptor: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-27
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
Descriptor: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-26
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
3IFN
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BU of 3ifn by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-40:12A11) complex
Descriptor: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFO
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BU of 3ifo by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex
Descriptor: 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFP
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BU of 3ifp by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex
Descriptor: 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFL
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BU of 3ifl by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex
Descriptor: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3KM5
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BU of 3km5 by Molmil
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
Descriptor: CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ...
Authors:Li, N, Collyer, C.A, Hunter, N.
Deposit date:2009-11-09
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
5AA4
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BU of 5aa4 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide
Descriptor: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5AA2
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BU of 5aa2 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide.
Descriptor: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016

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數據於2024-06-12公開中

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