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4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
Descriptor: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2013-12-21
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
5Y2T
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BU of 5y2t by Molmil
Structure of PPARgamma ligand binding domain - lobeglitazone complex
Descriptor: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-27
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
Descriptor: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-26
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
6I0A
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BU of 6i0a by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with nuded glycan obtained by co-crystallization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I09
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BU of 6i09 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan obtained by soaking
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I05
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BU of 6i05 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa
Descriptor: Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.213 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
1E9Z
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BU of 1e9z by Molmil
Crystal structure of Helicobacter pylori urease
Descriptor: NICKEL (II) ION, UREASE SUBUNIT ALPHA, UREASE SUBUNIT BETA
Authors:Ha, N.-C, Oh, S.-T, Oh, B.-H.
Deposit date:2000-11-01
Release date:2001-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
1E9Y
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BU of 1e9y by Molmil
Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid
Descriptor: ACETOHYDROXAMIC ACID, NICKEL (II) ION, UREASE SUBUNIT ALPHA, ...
Authors:Ha, N.-C, Oh, S.-T, Oh, B.-H.
Deposit date:2000-11-01
Release date:2001-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
6C8C
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BU of 6c8c by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06
Descriptor: 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
Authors:Najeeb, J, Zhou, P.
Deposit date:2018-01-24
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
6C59
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BU of 6c59 by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain
Descriptor: ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain
Authors:Wojtaszek, J.L, Zhou, P.
Deposit date:2018-01-15
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
5AA2
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BU of 5aa2 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide.
Descriptor: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5AA1
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BU of 5aa1 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide
Descriptor: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5CA5
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BU of 5ca5 by Molmil
Structure of the C. elegans NONO-1 homodimer
Descriptor: 1,2-ETHANEDIOL, NONO-1
Authors:Knott, G.J, Bond, C.S.
Deposit date:2015-06-29
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Caenorhabditis elegans NONO-1: Insights into DBHS protein structure, architecture, and function.
Protein Sci., 24, 2015
5AA4
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BU of 5aa4 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide
Descriptor: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5CTV
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BU of 5ctv by Molmil
Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Autolysin, fragment of peptidoglycan
Authors:Achour, A, Sandalova, T, Mellroth, P.
Deposit date:2015-07-24
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The crystal structure of the major pneumococcal autolysin LytA in complex with a large peptidoglycan fragment reveals the pivotal role of glycans for lytic activity.
Mol.Microbiol., 101, 2016
4OZS
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BU of 4ozs by Molmil
RNA binding protein
Descriptor: Alpha solenoid protein
Authors:Gully, B.S, Bond, C.S.
Deposit date:2014-02-19
Release date:2015-04-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The design and structural characterization of a synthetic pentatricopeptide repeat protein.
Acta Crystallogr.,Sect.D, 71, 2015
3E1F
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BU of 3e1f by Molmil
E.Coli (lacZ) beta-galactosidase (H418E) in complex with galactose
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Huber, R.E, Dugdale, M.L.
Deposit date:2008-08-04
Release date:2009-06-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
3DYM
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BU of 3dym by Molmil
E. coli (lacZ) beta-galactosidase (H418E)
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Juers, D.H, Huber, R.E, Matthews, B.W.
Deposit date:2008-07-28
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
3DYP
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BU of 3dyp by Molmil
E. coli (lacZ) beta-galactosidase (H418N)
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Juers, D.H, Huber, R.E, Matthews, B.W.
Deposit date:2008-07-28
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
3DYO
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BU of 3dyo by Molmil
E. coli (lacZ) beta-galactosidase (H418N) in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Juers, D.H, Huber, R.E, Matthews, B.W.
Deposit date:2008-07-28
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
3KM5
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BU of 3km5 by Molmil
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
Descriptor: CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ...
Authors:Li, N, Collyer, C.A, Hunter, N.
Deposit date:2009-11-09
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
4IWT
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BU of 4iwt by Molmil
Crystal structure of the C-teminal choline-binding domain of the Streptococcus pneumoniae prophage LytA
Descriptor: CHOLINE ION, Lytic amidase
Authors:Sandalova, T, Mellroth, P, Achour, A.
Deposit date:2013-01-24
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014
4IVV
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BU of 4ivv by Molmil
Catalytic amidase domain of the major autolysin LytA from Streptococcus pneumaniae
Descriptor: 1,2-ETHANEDIOL, Autolysin, ZINC ION
Authors:Sandalova, T, Achour, A.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014

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