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6UAS
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BU of 6uas by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose
Descriptor: DI(HYDROXYETHYL)ETHER, Glycoside Hydrolase, ZINC ION, ...
Authors:Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
5AOV
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BU of 5aov by Molmil
Ternary Crystal Structure of Pyrococcus furiosus Glyoxylate Hydroxypyruvate Reductase in presence of glyoxylate
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, GLYOXYLATE REDUCTASE, ...
Authors:Lassalle, L, Girard, E.
Deposit date:2015-09-12
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New Insights Into the Mechanism of Substrates Trafficking in Glyoxylate/Hydroxypyruvate Reductases.
Sci.Rep., 6, 2016
5XZO
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BU of 5xzo by Molmil
Crystal structure of GH10 xylanase XYL10C from Bispora. sp MEY-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase
Authors:You, S, Chen, C, Tu, T, Guo, R.T, Luo, H, Yao, B.
Deposit date:2017-07-13
Release date:2018-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of GH10 xylanase XYL10C from Bispora. sp MEY-1
To Be Published
6UFL
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BU of 6ufl by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199Q mutant) from Amycolatopsis mediterranei (AmGH128_I) in the complex with laminarihexaose
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Cordeiro, R.L, Domingues, M.N, Vieira, P.S, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-24
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
Deposit date:2015-02-21
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
4YNU
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BU of 4ynu by Molmil
Crystal structure of Aspergillus flavus FADGDH in complex with D-glucono-1,5-lactone
Descriptor: D-glucono-1,5-lactone, FLAVIN-ADENINE DINUCLEOTIDE, Glucose oxidase, ...
Authors:Yoshida, H, Sakai, G, Kojima, K, Kamitori, S, Sode, K.
Deposit date:2015-03-11
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural analysis of fungus-derived FAD glucose dehydrogenase
Sci Rep, 5, 2015
5NUE
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BU of 5nue by Molmil
Cytosolic Malate Dehydrogenase 1 (peroxide-treated)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ETHOXYETHANOL, ...
Authors:Young, D, Messens, J, Huang, J, Reichheld, J.-P.
Deposit date:2017-04-29
Release date:2018-02-28
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.35000277 Å)
Cite:Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis.
J. Exp. Bot., 69, 2018
8DV3
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BU of 8dv3 by Molmil
Crystal structure of human CD1b presenting Phosphatidylinositol C34:1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Farquhar, R, Rossjohn, J, Shahine, A.
Deposit date:2022-07-28
Release date:2023-04-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
6CJ6
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BU of 6cj6 by Molmil
Structure of the poxvirus protein F9
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Diesterbeck, U.S, Gittis, A.G, Garboczi, D.N, Moss, B.
Deposit date:2018-02-26
Release date:2019-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 angstrom structure of protein F9 and its comparison to L1, two components of the conserved poxvirus entry-fusion complex.
Sci Rep, 8, 2018
5T8U
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BU of 5t8u by Molmil
Crystal structure of P. falciparum LipL1 in complex lipoate
Descriptor: LIPOIC ACID, Lipoate-protein ligase 1
Authors:Guerra, A.J, Afanador, G.A, Prigge, S.T.
Deposit date:2016-09-08
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:Crystal structure of lipoate-bound lipoate ligase 1, LipL1, from Plasmodium falciparum.
Proteins, 85, 2017
7YPR
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BU of 7ypr by Molmil
Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
Descriptor: COPPER (II) ION, POTASSIUM ION, Superoxide dismutase [Cu-Zn], ...
Authors:Sim, K.-S, Fukuda, Y, Inoue, T.
Deposit date:2022-08-04
Release date:2023-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
6BOW
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BU of 6bow by Molmil
Human APE1 substrate complex with an T/T mismatch adjacent the THF
Descriptor: 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
1WZ3
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BU of 1wz3 by Molmil
The crystal structure of plant ATG12
Descriptor: autophagy 12b
Authors:Suzuki, N.N, Yoshimoto, K, Fujioka, Y, Ohsumi, Y, Inagaki, F.
Deposit date:2005-02-22
Release date:2005-06-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of plant ATG12 and its biological implication in autophagy.
Autophagy, 1, 2005
6H71
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BU of 6h71 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
9FBF
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BU of 9fbf by Molmil
VDR complex with UG-481
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2024-05-13
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
5DTW
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BU of 5dtw by Molmil
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
Descriptor: Arachinoyl-CoA, enoyl-CoA hydratase echA6
Authors:Cox, J.A.G, Besra, G.S, Futterer, K.
Deposit date:2015-09-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.439 Å)
Cite:THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5VI6
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BU of 5vi6 by Molmil
Crystal structure of histone deacetylase 8 in complex with trapoxin A
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-04-14
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8.
ACS Chem. Biol., 12, 2017
7YRO
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BU of 7yro by Molmil
Crystal structure of mango fucosyltransferase 13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Fucosyltransferase, ...
Authors:Okada, T, Teramoto, T, Ihara, H, Ikeda, Y, Kakuta, Y.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of mango alpha 1,3/ alpha 1,4-fucosyltransferase elucidates unique elements that regulate Lewis A-dominant oligosaccharide assembly.
Glycobiology, 34, 2024
5EPS
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BU of 5eps by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED10
Descriptor: 1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-12
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
6J9T
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BU of 6j9t by Molmil
Complex structure of Lactobacillus casei lactate dehydrogenase with fructose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, SULFATE ION
Authors:Arai, K, Miyanaga, A, Uchikoba, H, Fushinobu, S, Taguchi, H.
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of penta mutant of L-lactate dehydrogenase from Lactobacillus casei
To Be Published
5NDB
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BU of 5ndb by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor
Descriptor: (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2017-03-08
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
5LF6
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BU of 5lf6 by Molmil
Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5ODI
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BU of 5odi by Molmil
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus cocrystallized with CoM-SH
Descriptor: 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Wagner, T, Koch, J, Ermler, U, Shima, S.
Deposit date:2017-07-05
Release date:2017-08-30
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
5HSH
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BU of 5hsh by Molmil
Crystal structure of the G291R mutant of human phosphoglucomutase 1
Descriptor: Phosphoglucomutase-1, SULFATE ION
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2016-01-25
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency.
J.Mol.Biol., 428, 2016
9HC1
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BU of 9hc1 by Molmil
SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
Descriptor: (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Hanoulle, X, Charton, J, Deprez, B.
Deposit date:2024-11-08
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
To Be Published

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