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8PIZ
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BU of 8piz by Molmil
Neisseria meningitidis Type IV pilus SB-DATDH variant bound to the C24 nanobody
Descriptor: 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, C24 nanobody, Pilin, ...
Authors:Fernandez-Martinez, D, Dumenil, G.
Deposit date:2023-06-22
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8PIJ
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BU of 8pij by Molmil
Neisseria meningitidis Type IV pilus SB-GATDH variant bound to the C24 nanobody
Descriptor: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, C24 nanobody, Pilin, ...
Authors:Fernandez-Martinez, D, Dumenil, G.
Deposit date:2023-06-21
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8PJP
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BU of 8pjp by Molmil
Neisseria meningitidis PilE, SB-GATDH variant, bound to the F10 nanobody
Descriptor: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Nanobody F10, Pilin, ...
Authors:Fernandez-Martinez, D, Dumenil, G.
Deposit date:2023-06-23
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
5FT6
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BU of 5ft6 by Molmil
Crystal structure of the cysteine desulfurase CsdA (S-sulfonic acid) from Escherichia coli at 2.050 Angstroem resolution
Descriptor: CYSTEINE DESULFURASE CSDA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT8
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BU of 5ft8 by Molmil
Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution
Descriptor: Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT5
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BU of 5ft5 by Molmil
Crystal structure of the cysteine desulfurase CsdA (persulfurated) from Escherichia coli at 2.384 Angstroem resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
5FT4
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BU of 5ft4 by Molmil
Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution
Descriptor: CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-12-21
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model
Acs Catalysis, 6, 2016
6SDX
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BU of 6sdx by Molmil
Salmonella ATPase InvC with ATP gamma S
Descriptor: ATP synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-07-29
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
4X7W
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BU of 4x7w by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
7QUJ
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BU of 7quj by Molmil
Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2
Authors:Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E.
Deposit date:2022-01-18
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
6RAE
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BU of 6rae by Molmil
Structural analysis of the Salmonella type III secretion system ATPase InvC
Descriptor: CHLORIDE ION, GLYCEROL, Secretory apparatus ATP synthase (Associated with virulence)
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-04-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
6RAD
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BU of 6rad by Molmil
Salmonella ATPase InvC with ADP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-04-05
Release date:2019-08-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
4X7U
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BU of 4x7u by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg, SAH and mycinamicin III (substrate)
Descriptor: MAGNESIUM ION, MYCINAMICIN III, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X81
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BU of 4x81 by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7X
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BU of 4x7x by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin
Descriptor: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Y
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BU of 4x7y by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg and SAH
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
8AK4
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BU of 8ak4 by Molmil
Structure of the C-terminally truncated NAD+-dependent DNA ligase from the poly-extremophile Deinococcus radiodurans
Descriptor: DNA ligase, MANGANESE (II) ION, ZINC ION
Authors:Fernandes, A, Williamson, A.K, Matias, P.M, Moe, E.
Deposit date:2022-07-29
Release date:2023-09-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structure/function studies of the NAD + -dependent DNA ligase from the poly-extremophile Deinococcus radiodurans reveal importance of the BRCT domain for DNA binding.
Extremophiles, 27, 2023
4X7V
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BU of 4x7v by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product)
Descriptor: MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Z
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BU of 4x7z by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin III (substrate)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, MYCINAMICIN III, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
7ZIW
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BU of 7ziw by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (FSAm(4)-TMR)
To Be Published
7ZIV
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BU of 7ziv by Molmil
X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR)
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR)
To Be Published
7ZIX
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BU of 7zix by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (HSAm(4)-TMR)
To Be Published
7N6T
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BU of 7n6t by Molmil
Crystal structure of inhibitor-free HIV-1 PRS17 revertant mutant PRS17 V48G
Descriptor: Protease
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
7N6V
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BU of 7n6v by Molmil
Crystal structure of HIV-1 Protease multiple mutants PRS17 with Revertant mutation V48G bound to inhibitor Amprenavir
Descriptor: GLYCEROL, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
7N6X
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BU of 7n6x by Molmil
Crystal structure of HIV-1 Protease multiple mutants PRS17 bound to inhibitor Amprenavir
Descriptor: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021

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PDB entries from 2024-08-14

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