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PDB: 272 results

4OY6
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BU of 4oy6 by Molmil
Structure of ScLPMO10B in complex with copper.
Descriptor: ACETATE ION, COPPER (II) ION, Putative secreted cellulose-binding protein, ...
Authors:Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H.
Deposit date:2014-02-11
Release date:2014-05-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
2CKI
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BU of 2cki by Molmil
Structure of Ulilysin, a member of the pappalysin family of metzincin metalloendopeptidases.
Descriptor: ARGININE, CALCIUM ION, GLYCEROL, ...
Authors:Tallant, C, Garcia-Castellanos, R, Seco, J, Baumann, U, Gomis-Ruth, F.X.
Deposit date:2006-04-19
Release date:2006-05-09
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Analysis of Ulilysin, the Structural Prototype of a New Family of Metzincin Metalloproteases.
J.Biol.Chem., 281, 2006
6WCG
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BU of 6wcg by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 10.33 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCN
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BU of 6wcn by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 18.08 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCP
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BU of 6wcp by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 20.67 MGy)
Descriptor: COPPER (II) ION, GLYCEROL, Laccase, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-31
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCL
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BU of 6wcl by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 12.91 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCM
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BU of 6wcm by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 15.50 MGy)
Descriptor: COPPER (II) ION, Laccase, PENTAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution
To Be Published
6WCH
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BU of 6wch by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 7.75 MGy)
Descriptor: COPPER (II) ION, Laccase, TETRAETHYLENE GLYCOL
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-30
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dynamic behavior of beta-hairpin loop at laccase of Thermus thermophilus at 1.7 angstroms resolution.
To Be Published
6QZV
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BU of 6qzv by Molmil
DPP9 bound to a dipeptide (MP) from the N-terminus of BRCA2
Descriptor: Dipeptidyl peptidase 9, MET-PRO
Authors:Ross, B, Geiss-Friedlander, R, Huber, R.
Deposit date:2019-03-12
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dipeptidyl peptidase 9 triggers BRCA2 degradation by the N-degron pathway to promote DNA-damage repair
Biorxiv, 2020
6QZW
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BU of 6qzw by Molmil
DPP8 bound to a dipeptide (MP) from the N-terminus of BRCA2
Descriptor: Dipeptidyl peptidase 8, MET-PRO, SODIUM ION
Authors:Ross, B, Geiss-Friedlander, R, Huber, R.
Deposit date:2019-03-12
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dipeptidyl peptidase 9 triggers BRCA2 degradation by the N-degron pathway to promote DNA-damage repair
Biorxiv, 2020
2J83
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BU of 2j83 by Molmil
Ulilysin metalloprotease in complex with batimastat.
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, GLYCEROL, ...
Authors:Garcia-Castellanos, R, Tallant, C, Marrero, A, Sola, M, Baumann, U, Gomis-Ruth, F.X.
Deposit date:2006-10-18
Release date:2006-12-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Specificity of a Metalloprotease of the Pappalysin Family Revealed by an Inhibitor and a Product Complex.
Arch.Biochem.Biophys., 457, 2007
7OOM
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BU of 7oom by Molmil
N-terminal domain of FlSp spidroin from Nephila clavipes
Descriptor: Flagelliform spidroin variant 1
Authors:Tars, K, Metlans, R, Fridmanis, J, Jaudzems, K.
Deposit date:2021-05-28
Release date:2022-06-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
2BOA
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BU of 2boa by Molmil
Human procarboxypeptidase A4.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE A4, ...
Authors:Garcia-Castellanos, R, Bonet-Figueredo, R, Pallares, I, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Ruth, F.X.
Deposit date:2005-04-08
Release date:2005-12-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Detailed Molecular Comparison between the Inhibition Mode of A/B-Type Carboxypeptidases in the Zymogen State and by the Endogenous Inhibitor Latexin.
Cell.Mol.Life Sci., 62, 2005
8CA0
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BU of 8ca0 by Molmil
Macrophage inhibitory factor (MIF) in complex with small molecule PAV174
Descriptor: 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine, Macrophage migration inhibitory factor
Authors:Mueller, A, Torres, F, Roland, R, Korth, C.
Deposit date:2023-01-24
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Oxidized MIF is a drug target at the molecular intersection between immune activation and tau cellular pathology
To Be Published
3LUN
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BU of 3lun by Molmil
Structure of ulilysin mutant M290C
Descriptor: ARGININE, CALCIUM ION, GLYCEROL, ...
Authors:Tallant, C, Garcia-Castellanos, R, Baumann, U, Gomis-Ruth, F.X.
Deposit date:2010-02-18
Release date:2010-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the relevance of the Met-turn methionine in metzincins.
J.Biol.Chem., 285, 2010
2IWB
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BU of 2iwb by Molmil
MecR1 unbound extracellular antibiotic-sensor domain.
Descriptor: GLYCEROL, METHICILLIN RESISTANCE MECR1 PROTEIN, NICKEL (II) ION, ...
Authors:Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
Deposit date:2006-06-27
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
2IWC
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BU of 2iwc by Molmil
Benzylpenicilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
Descriptor: METHICILLIN RESISTANCE MECR1 PROTEIN, OPEN FORM - PENICILLIN G
Authors:Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
Deposit date:2006-06-27
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
6I4A
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BU of 6i4a by Molmil
Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I46
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BU of 6i46 by Molmil
Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I48
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BU of 6i48 by Molmil
Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
5G3H
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BU of 5g3h by Molmil
Preserving Metallic Sites Affected by Radiation Damage the CuT2 Case in Thermus Thermophilus Multicopper oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E.
Deposit date:2016-04-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
5G3D
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BU of 5g3d by Molmil
preserving Metallic Sites Affected by Radiation Damage the CuT2 cCase in Thermus Thermophilus Multicopper Oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E.
Deposit date:2016-04-25
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
2IWA
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BU of 2iwa by Molmil
Unbound glutaminyl cyclotransferase from Carica papaya.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLUTAMINE CYCLOTRANSFERASE, ...
Authors:Guevara, T, Mallorqui-Fernandez, N, Garcia-Castellanos, R, Petersen, G.E, Lauritzen, C, Pedersen, J, Arnau, J, Gomis-Ruth, F.X, Sola, M.
Deposit date:2006-06-27
Release date:2006-07-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Biol.Chem., 387, 2006
6I47
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BU of 6i47 by Molmil
Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I49
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BU of 6i49 by Molmil
Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide
Descriptor: (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020

227344

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