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4TKP
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BU of 4tkp by Molmil
Complex of Ubc13 with the RING domain of the TRIM5alpha retroviral restriction factor
Descriptor: SULFATE ION, Tripartite motif-containing protein 5, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Johnson, R, Taylor, A.B, Hart, P.J, Ivanov, D.N.
Deposit date:2014-05-27
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:RING Dimerization Links Higher-Order Assembly of TRIM5 alpha to Synthesis of K63-Linked Polyubiquitin.
Cell Rep, 12, 2015
6XX1
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BU of 6xx1 by Molmil
The unique CBM3-Clocl_1192 of Hungateiclostridium clariflavum
Descriptor: Cellulose binding domain-containing protein
Authors:Milana, M.V, Almog, R, Yaniv, O, Oded, L, Inna, R.G, Felix, F, Edward, A.B, Raphael, L.
Deposit date:2020-01-26
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The unique CBM3-Cthe_0271 from Ruminoclostridium thermocellum and CBM3-Clocl_1192 from Hungateiclostridium clariflavum
To Be Published
4RNX
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BU of 4rnx by Molmil
K154 Circular Permutation of Old Yellow Enzyme
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4TLV
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BU of 4tlv by Molmil
CARDS TOXIN, NICKED
Descriptor: ACETATE ION, ADP-ribosylating toxin CARDS, GLYCEROL, ...
Authors:Taylor, A.B, Pakhomova, O.N, Hart, P.J.
Deposit date:2014-05-30
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
6XT1
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BU of 6xt1 by Molmil
The structure of the M60 catalytic domain from Clostridium perfringens ZmpC in complex the sialyl T antigen
Descriptor: 1,2-ETHANEDIOL, SERINE, ZINC ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
6XSX
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BU of 6xsx by Molmil
The structure of the catalytic module of the metalloprotease ZmpA from Clostridium perfringens
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ZmpA Glycopeptidase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RNU
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BU of 4rnu by Molmil
G303 Circular Permutation of Old Yellow Enzyme
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, PHOSPHATE ION
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RNV
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BU of 4rnv by Molmil
G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, P-HYDROXYBENZALDEHYDE
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
6X7Q
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BU of 6x7q by Molmil
Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA
Descriptor: CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ...
Authors:Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
6X7R
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BU of 6x7r by Molmil
E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
6X96
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BU of 6x96 by Molmil
Cryo-EM model of HIV-1 Env BG505 SOSIP.664 in complex with rabbit monoclonal antibody 10A fragment antigen binding variable domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 HIV-1 Env gp120, ...
Authors:Ozorowski, G, Cottrell, C.A, Ward, A.B.
Deposit date:2020-06-02
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions
To Be Published
6X97
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BU of 6x97 by Molmil
Cryo-EM model of HIV-1 Env BG505 SOSIP.664 in complex with rabbit monoclonal antibody 11A fragment antigen binding variable domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 HIV-1 Env gp120, ...
Authors:Ozorowski, G, Cottrell, C.A, Ward, A.B.
Deposit date:2020-06-02
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions
To Be Published
6X98
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BU of 6x98 by Molmil
Cryo-EM model of HIV-1 Env BG505 SOSIP.664 in complex with rabbit monoclonal antibody 11B fragment antigen binding variable domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 HIV-1 Env gp120, ...
Authors:Ozorowski, G, Cottrell, C.A, Ward, A.B.
Deposit date:2020-06-02
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions
To Be Published
6Y4P
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BU of 6y4p by Molmil
Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain
Descriptor: CALCIUM ION, Calmodulin-1, Ryanodine receptor 2
Authors:Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R.
Deposit date:2020-02-21
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13325572 Å)
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6Y94
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BU of 6y94 by Molmil
Ca2+-bound Calmodulin mutant N53I
Descriptor: CALCIUM ION, Calmodulin
Authors:Holt, C, Nielsen, L.H, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R.
Deposit date:2020-03-06
Release date:2020-04-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6Y4O
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BU of 6y4o by Molmil
Calmodulin bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain
Descriptor: CALCIUM ION, Calmodulin-2, Ryanodine receptor 2
Authors:Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R.
Deposit date:2020-02-21
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83549082 Å)
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
4TXW
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BU of 4txw by Molmil
Crystal structure of CBM32-4 from the Clostridium perfringens NagH
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Hyaluronoglucosaminidase
Authors:Grondin, J.M, Ficko-Blean, E, Boraston, A.B, Smith, S.P.
Deposit date:2014-07-07
Release date:2015-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Solution Structure and Dynamics of Full-length GH84A, a multimodular B-N-acetylglucosaminidase from Clostridium perfringens
To Be Published
4UAP
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BU of 4uap by Molmil
X-ray structure of GH31 CBM32-2 bound to GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P.
Deposit date:2014-08-11
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
4UCV
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BU of 4ucv by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
6Y95
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BU of 6y95 by Molmil
Ca2+-free Calmodulin mutant N53I
Descriptor: Calmodulin
Authors:Holt, C, Hamborg, L.N, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R.
Deposit date:2020-03-06
Release date:2020-04-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015

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