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5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
著者Vigouroux, A, Morera, S.
登録日2016-03-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
著者Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
登録日2022-05-30
公開日2022-09-14
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
5WS8
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BU of 5ws8 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate
分子名称: MAGNESIUM ION, OXALATE ION, Pyruvate kinase
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WRP
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BU of 5wrp by Molmil
T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis
分子名称: PHOSPHATE ION, Pyruvate kinase
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-02
公開日2017-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WSB
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BU of 5wsb by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WSA
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BU of 5wsa by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 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
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A.
登録日2018-09-08
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
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
分子名称: GLYCEROL, Genome polyprotein
著者Phoo, W.W, El Sahili, A.
登録日2017-11-26
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
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
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 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
分子名称: FLAVIVIRUS_NS2B, PTI protein, Peptidase S7
著者Phoo, W.W, El Sahili, A.
登録日2017-11-28
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
7VPE
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Falcilysin in complex with A1
分子名称: (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2021-10-16
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Title is not available yet as we are preparing the manuscript. Will update again once the paper is out.
To Be Published
6K4E
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BU of 6k4e by Molmil
SiaA-PP2C domain of Pseudomonas aeruginosa
分子名称: MAGNESIUM ION, Putative serine phosphatase
著者Lin, J.Q, Lescar, J.
登録日2019-05-23
公開日2019-06-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.094 Å)
主引用文献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
分子名称: DUF1987 domain-containing protein
著者Lin, J.Q, Lescar, J.
登録日2019-05-23
公開日2019-06-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
8CDO
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BU of 8cdo by Molmil
PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like
分子名称: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ...
著者Morera, S, Vigouroux, A.
登録日2023-01-31
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献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
8CI6
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BU of 8ci6 by Molmil
PBP AccA from A. vitis S4 in complex with D-glucose-2-phosphate (G2P)
分子名称: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate binding protein (Agrocinopine)
著者Morera, S, Vigouroux, A.
登録日2023-02-08
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献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
8C6Y
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BU of 8c6y by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 2
分子名称: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A, legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献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
8CB9
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BU of 8cb9 by Molmil
PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate
分子名称: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A.
登録日2023-01-25
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
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
分子名称: 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, ...
著者Arora, R, Benson, T.E.
登録日2016-05-23
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
分子名称: 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
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
分子名称: 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, ...
著者Morera, S, Vigouroux, A, Siragu, S.
登録日2023-01-24
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.626 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ...
著者Morera, S, Vigouroux, A, Legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A, Legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献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
分子名称: 2-O-phosphono-alpha-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Morera, S, Vigouroux, A.
登録日2023-02-06
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献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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