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6TS9
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BU of 6ts9 by Molmil
Crystal structure of GES-5 carbapenemase
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ...
著者Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L.
登録日2019-12-20
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
4V2A
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BU of 4v2a by Molmil
human Unc5A ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NETRIN RECEPTOR UNC5A
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4V2E
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BU of 4v2e by Molmil
FLRT3 LRR domain
分子名称: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development.
Neuron, 84, 2014
4V2D
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BU of 4v2d by Molmil
FLRT2 LRR domain
分子名称: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4V2C
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BU of 4v2c by Molmil
mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain
分子名称: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4V2B
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BU of 4v2b by Molmil
rat Unc5D Ig domain 1
分子名称: PROTEIN UNC5D
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4BKA
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BU of 4bka by Molmil
crystal structure of the human EphA4 ectodomain in complex with human ephrin A5
分子名称: EPHRIN TYPE-A RECEPTOR 4, EPHRIN-A5
著者Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y.
登録日2013-04-23
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (5.3 Å)
主引用文献Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
4BK4
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crystal structure of the human EphA4 ectodomain
分子名称: EPHRIN TYPE-A RECEPTOR 4
著者Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y.
登録日2013-04-22
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
4BK5
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crystal structure of the human EphA4 ectodomain in complex with human ephrin A5 (amine-methylated sample)
分子名称: EPHRIN TYPE-A RECEPTOR 4, EPHRIN-A5
著者Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y.
登録日2013-04-22
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
4BKF
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BU of 4bkf by Molmil
crystal structure of the human EphA4 ectodomain in complex with human ephrinB3
分子名称: EPHRIN TYPE-A RECEPTOR 4, EPHRIN-B3
著者Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y.
登録日2013-04-24
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.65 Å)
主引用文献Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
7OC1
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BU of 7oc1 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
登録日2021-04-25
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
7OC0
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BU of 7oc0 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
分子名称: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
登録日2021-04-25
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
5FTU
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BU of 5ftu by Molmil
Tetrameric complex of Latrophilin 3, Unc5D and FLRT2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ...
著者Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E.
登録日2016-01-15
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.01 Å)
主引用文献Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
5FTT
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BU of 5ftt by Molmil
Octameric complex of Latrophilin 3 (Lec, Olf) , Unc5D (Ig, Ig2, TSP1) and FLRT2 (LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ...
著者Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E.
登録日2016-01-15
公開日2016-05-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
5AFB
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BU of 5afb by Molmil
Crystal structure of the Latrophilin3 Lectin and Olfactomedin Domains
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Jackson, V.A, del Toro, D, Carrasquero, M, Roversi, P, Harlos, K, Klein, R, Seiradake, E.
登録日2015-01-21
公開日2015-03-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Basis of Latrophilin-Flrt Interaction.
Structure, 23, 2015
6MAW
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BU of 6maw by Molmil
F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide
分子名称: Fimbrial adhesin FmlD, N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide
著者Klein, R.D, Hultgren, S.J.
登録日2018-08-28
公開日2019-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design.
J.Med.Chem., 62, 2019
6BBO
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BU of 6bbo by Molmil
Crystal structure of human APOBEC3H/RNA complex
分子名称: APOBEC3H, GLYCEROL, MCherry fluorescent protein, ...
著者Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H.
登録日2017-10-19
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.428 Å)
主引用文献The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
6MAQ
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BU of 6maq by Molmil
F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 2'-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-nitro-[1,1'-biphenyl]-3-carboxylic acid
分子名称: 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid, Fimbrial adhesin FmlD, GLYCEROL
著者Klein, R.D, Hultgren, S.J.
登録日2018-08-28
公開日2019-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design.
J.Med.Chem., 62, 2019
6MAP
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BU of 6map by Molmil
F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 5-nitro-2'-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-carboxylic acid
分子名称: 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid, Fimbrial adhesin FmlD, GLYCEROL, ...
著者Klein, R.D, Hultgren, S.J.
登録日2018-08-28
公開日2019-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design.
J.Med.Chem., 62, 2019
6B0B
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BU of 6b0b by Molmil
Crystal structure of human APOBEC3H
分子名称: APOBEC3H, MCherry, RNA (5'-R(*UP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H.
登録日2017-09-14
公開日2017-10-25
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.2800622 Å)
主引用文献The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
5F3F
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BU of 5f3f by Molmil
Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain
分子名称: 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH
著者Klein, R.D, Hultgren, S.J.
登録日2015-12-02
公開日2016-12-07
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.
J.Med.Chem., 59, 2016
2XWH
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BU of 2xwh by Molmil
HCV-J6 NS5B polymerase structure at 1.8 Angstrom
分子名称: DI(HYDROXYETHYL)ETHER, POLYETHYLENE GLYCOL (N=34), RNA DEPENDENT RNA POLYMERASE
著者Scrima, N, Bressanelli, S.
登録日2010-11-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
2XYM
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BU of 2xym by Molmil
HCV-JFH1 NS5B T385A mutant
分子名称: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
著者Simister, P.C, Caillet-Saguy, C, Bressanelli, S.
登録日2010-11-18
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
2XXD
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BU of 2xxd by Molmil
HCV-JFH1 NS5B polymerase structure at 1.9 angstrom
分子名称: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
著者Caillet-Saguy, C, Bressanelli, S.
登録日2010-11-10
公開日2011-01-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
6SKE
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BU of 6ske by Molmil
Teneurin 2 in complex with Latrophilin 2 Lec domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L2, ...
著者Shahin, M, Jackson, V.A, Carrasquero, M, Lowe, E, Seiradake, E.
登録日2019-08-15
公開日2020-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons.
Cell, 180, 2020

 

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