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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
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
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
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
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
7C31
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BU of 7c31 by Molmil
Crystal structure of the grapevine defensin VvK1
Descriptor: Knot1 domain-containing protein
Authors:Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D.
Deposit date:2020-05-10
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
5WS8
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BU of 5ws8 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate
Descriptor: MAGNESIUM ION, OXALATE ION, Pyruvate kinase
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 (2.62 Å)
Cite: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
Descriptor: PHOSPHATE ION, Pyruvate kinase
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-02
Release date:2017-11-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
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 (2.25 Å)
Cite: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
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE 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 (2.85 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
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
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
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
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
5ORG
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BU of 5org by Molmil
Structure of the periplasmic binding protein (PBP) OccJ from A. tumefaciens B6 in complex with octopine.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-16
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OT8
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BU of 5ot8 by Molmil
Structure of the periplasmic binding protein (PBP) NocT-G97S mutant from A. tumefaciens C58 in complex with octopine.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-21
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OVZ
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BU of 5ovz by Molmil
High resolution structure of the PBP NocT in complex with nopaline
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-30
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 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
5OTA
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BU of 5ota by Molmil
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with octopinic acid
Descriptor: (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid, 1,2-ETHANEDIOL, Nopaline-binding periplasmic protein
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-21
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5ORE
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BU of 5ore by Molmil
Structure of the periplasmic binding protein (PBP) OccJ from agrobacterium tumefaciens B6
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Octopine-binding periplasmic protein
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-16
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OTC
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BU of 5otc by Molmil
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with noroctopinic acid.
Descriptor: (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-21
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OT9
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BU of 5ot9 by Molmil
Structure of the periplasmic binding protein (PBP) NocT from A.tumefaciens C58 in complex with histopine.
Descriptor: 1,2-ETHANEDIOL, Histopine, Nopaline-binding periplasmic protein
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-21
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
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
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

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