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8P2L
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BU of 8p2l by Molmil
A CHIMERA construct containing human SARM1 ARM and SAM domains and C. elegans TIR domain.
Descriptor: NAD(+) hydrolase SARM1,NAD(+) hydrolase tir-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Isupov, M.N, Opatowsky, Y.
Deposit date:2023-05-16
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure-function analysis of ceTIR-1/hSARM1 explains the lack of Wallerian axonal degeneration in C. elegans.
Cell Rep, 42, 2023
6YAK
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BU of 6yak by Molmil
Split gene transketolase, active alpha2beta2 heterotetramer
Descriptor: (2S)-2-hydroxybutanedioic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, C-terminal component of the split chain transketolase, ...
Authors:Isupov, M.N, Littlechild, J.A, James, P.
Deposit date:2020-03-12
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
6YAJ
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BU of 6yaj by Molmil
Split gene transketolase, inactive beta4 tetramer
Descriptor: 1,2-ETHANEDIOL, C-terminal chain of split transketolase from Carboxydothermus hydrogenoformans, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Littlechild, J.A, James, P.
Deposit date:2020-03-12
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
1QMV
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BU of 1qmv by Molmil
thioredoxin peroxidase B from red blood cells
Descriptor: PEROXIREDOXIN-2
Authors:Isupov, M.N, Littlechild, J.A, Lebedev, A.A, Errington, N, Vagin, A.A, Schroder, E.
Deposit date:1999-10-07
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Decameric 2-Cys Peroxiredoxin from Human Erythrocytes at 1.7 A Resolution.
Structure, 8, 2000
6T92
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BU of 6t92 by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
6T8Z
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BU of 6t8z by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
6T94
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BU of 6t94 by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
6T8Y
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BU of 6t8y by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
4BQ0
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BU of 4bq0 by Molmil
Pseudomonas aeruginosa beta-alanine:pyruvate aminotransferase holoenzyme without divalent cations on dimer-dimer interface
Descriptor: BETA-ALANINE--PYRUVATE TRANSAMINASE, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Isupov, M.N, Lebedev, A.A, Westlake, A, Sayer, C, Littlechild, J.A.
Deposit date:2013-05-29
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Space-Group and Origin Ambiguity in Macromolecular Structures with Pseudo-Symmetry and its Treatment with the Program Zanuda.
Acta Crystallogr.,Sect.D, 70, 2014
7PNB
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BU of 7pnb by Molmil
Sulfolobus acidocaldarius 0406 filament.
Descriptor: 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sulfolobus acidocaldarius 0406 filament., beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Isupov, M.N, Gaines, M, Daum, B.
Deposit date:2021-09-06
Release date:2022-09-14
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Electron cryo-microscopy reveals the structure of the archaeal thread filament.
Nat Commun, 13, 2022
8EDD
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BU of 8edd by Molmil
Staphylococcus aureus endonuclease IV Y33F mutant
Descriptor: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Saper, M.A, Kirillov, S, Isupov, M.N, Wiener, R, Rouvinski, A.
Deposit date:2022-09-04
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
4USK
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BU of 4usk by Molmil
Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ...
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-09
Release date:2016-01-13
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4UTG
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BU of 4utg by Molmil
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-21
Release date:2016-01-13
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4USM
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BU of 4usm by Molmil
WcbL complex with glycerol bound to sugar site
Descriptor: CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-10
Release date:2016-01-13
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4UT4
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BU of 4ut4 by Molmil
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
Descriptor: CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-18
Release date:2016-01-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
7ANW
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BU of 7anw by Molmil
hSARM1 NAD+ complex
Descriptor: NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Mim, C, Isupov, M.N, Zalk, R, Dessau, M, Hons, M, Opatowsky, Y.
Deposit date:2020-10-13
Release date:2020-11-11
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
7B0M
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BU of 7b0m by Molmil
Sugar transaminase from a metagenome collected from troll oil field production water
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ...
Authors:Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S.
Deposit date:2020-11-20
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Sugar transaminases from hot environments
To Be Published
7B0D
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BU of 7b0d by Molmil
Sugar transaminase from Archaeoglobus veneficus
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Sugar transaminases from hot environments
To Be Published
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
Authors:Zhu, C.H, Wu, Y.K, Isupov, M.N.
Deposit date:2020-05-16
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
5H3V
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BU of 5h3v by Molmil
Crystal structure of a Type IV Secretion System Component CagX in Helicobacter pylori
Descriptor: Cag8, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL
Authors:Zhang, J, Wu, Y, Zhao, Y, Sun, L, Keegan, R.M, Liu, Y, Isupov, M.N.
Deposit date:2016-10-27
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the type IV secretion system component CagX from Helicobacter pylori
Acta Crystallogr F Struct Biol Commun, 73, 2017
5I6J
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BU of 5i6j by Molmil
Crystal Structure of SRGAP2 F-BARx
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2
Authors:Sporny, M, Guez-Haddad, J, Isupov, M.N, Opatowsky, Y.
Deposit date:2016-02-16
Release date:2017-03-08
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural History of Human SRGAP2 Proteins.
Mol. Biol. Evol., 34, 2017
5I7D
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BU of 5i7d by Molmil
Crystal Structure of srGAP2 F-BARx WT Form-2
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2
Authors:Sporny, M, Guez-Haddad, J, Isupov, M.N, Opatowsky, Y.
Deposit date:2016-02-17
Release date:2017-08-30
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Structural Basis for srGAP2 Membrane Interactions, and Antagonism by the Human Specific Paralog srGAP2C
To Be Published
5I6R
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BU of 5i6r by Molmil
Crystal Structure of srGAP2 F-BARx WT Form-1
Descriptor: ACETATE ION, D-MALATE, SLIT-ROBO Rho GTPase-activating protein 2, ...
Authors:Sporny, M, Guez-Haddad, J, Isupov, M.N, Opatowsky, Y.
Deposit date:2016-02-16
Release date:2017-08-30
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for srGAP2 Membrane Interactions, and Antagonism by the Human Specific Paralog srGAP2C
To Be Published
5O44
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BU of 5o44 by Molmil
Crystal structure of unbranched mixed tri-Ubiquitin chain containing K48 and K63 linkages.
Descriptor: MAGNESIUM ION, Polyubiquitin-B, SULFATE ION, ...
Authors:Padala, P, Isupov, M.N, Wiener, R.
Deposit date:2017-05-26
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:The Crystal Structure and Conformations of an Unbranched Mixed Tri-Ubiquitin Chain Containing K48 and K63 Linkages.
J. Mol. Biol., 429, 2017
5OSI
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BU of 5osi by Molmil
Structure of retromer VPS29-VPS35C subunits complexed with RidL harpin loop (163-176)
Descriptor: 1,2-ETHANEDIOL, Interaptin, SODIUM ION, ...
Authors:Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A.
Deposit date:2017-08-17
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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