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4P0I
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BU of 4p0i by Molmil
Structure of the PBP NocT
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein
Authors:Vigouroux, A, Morera, S.
Deposit date:2014-02-21
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
4PP0
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BU of 4pp0 by Molmil
Structure of the PBP NocT-M117N in complex with pyronopaline
Descriptor: 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2014-02-26
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
4POW
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BU of 4pow by Molmil
Structure of the PBP NocT in complex with pyronopaline
Descriptor: 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein
Authors:Morera, S, Vigouroux, A.
Deposit date:2014-02-26
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5YVJ
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BU of 5yvj by Molmil
Crystal structure of full length NS2B47-NS3 (gD4NS2BNS3) from Dengue virus 4 in open conformation
Descriptor: GLYCEROL, Genome polyprotein
Authors:Phoo, W.W, El Sahili, A.
Deposit date:2017-11-26
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5ITO
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BU of 5ito by Molmil
Structure of the periplasmic binding protein M117N-NocT from A. tumefaciens in complex with octopine
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, DI(HYDROXYETHYL)ETHER, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2016-03-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
5YW1
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BU of 5yw1 by Molmil
Crystal structure of full length NS3 protein (eD4NS2BNS3) in complex with Bovine Pancreatic Trypsin Inhibitor
Descriptor: FLAVIVIRUS_NS2B, PTI protein, Peptidase S7
Authors:Phoo, W.W, El Sahili, A.
Deposit date:2017-11-28
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVY
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BU of 5yvy by Molmil
Crystal structure of unlinked full length NS3 protein (eD4NS2BNS3) from DENV4 in closed conformation
Descriptor: Genome polyprotein
Authors:PHOO, W.W, El Sahili, A.
Deposit date:2017-11-27
Release date:2018-11-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5WSC
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BU of 5wsc by Molmil
Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WS9
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BU of 5ws9 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2016-03-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
6ID4
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BU of 6id4 by Molmil
Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A.
Deposit date:2018-09-08
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
6K4E
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BU of 6k4e by Molmil
SiaA-PP2C domain of Pseudomonas aeruginosa
Descriptor: MAGNESIUM ION, Putative serine phosphatase
Authors:Lin, J.Q, Lescar, J.
Deposit date:2019-05-23
Release date:2019-06-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
6K4F
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BU of 6k4f by Molmil
SiaC of Pseudomonas aeruginosa
Descriptor: DUF1987 domain-containing protein
Authors:Lin, J.Q, Lescar, J.
Deposit date:2019-05-23
Release date:2019-06-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
Authors:Arora, R, Benson, T.E.
Deposit date:2016-05-23
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
5I3Q
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BU of 5i3q by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
8CAY
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BU of 8cay by Molmil
PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like
Descriptor: Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA, ...
Authors:Morera, S, Vigouroux, A, Siragu, S.
Deposit date:2023-01-24
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.626 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6U
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BU of 8c6u by Molmil
PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH3
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BU of 8ch3 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine C-like
Descriptor: 2-O-phosphono-alpha-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C75
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BU of 8c75 by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 3
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH2
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BU of 8ch2 by Molmil
PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P)
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Deicsics, G, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CJU
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BU of 8cju by Molmil
PBP AccA from A. vitis S4 in complex with agrocin84
Descriptor: ABC transporter substrate binding protein (Agrocinopine), [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-13
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6R
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BU of 8c6r by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 4
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.884 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH1
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BU of 8ch1 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine A
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CKD
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BU of 8ckd by Molmil
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024

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数据于2024-10-09公开中

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