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5C71
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BU of 5c71 by Molmil
The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Glucuronidase, alpha-D-glucopyranuronic acid
Authors:Sun, H.L, Lv, B, Huang, S, Li, C, Jiang, T.
Deposit date:2015-06-24
Release date:2016-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins.
J.Biol.Chem., 293, 2018
2GBP
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BU of 2gbp by Molmil
SUGAR AND SIGNAL-TRANSDUCER BINDING SITES OF THE ESCHERICHIA COLI GALACTOSE CHEMORECEPTOR PROTEIN
Descriptor: CALCIUM ION, D-GALACTOSE/D-GLUCOSE BINDING PROTEIN, beta-D-glucopyranose
Authors:Vyas, N.K, Vyas, M.N, Quiocho, F.A.
Deposit date:1989-02-23
Release date:1990-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sugar and signal-transducer binding sites of the Escherichia coli galactose chemoreceptor protein.
Science, 242, 1988
4CAG
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BU of 4cag by Molmil
Bacillus licheniformis Rhamnogalacturonan Lyase PL11
Descriptor: CALCIUM ION, GLYCEROL, POLYSACCHARIDE LYASE FAMILY 11 PROTEIN
Authors:Otten, H, Rodrigues da Silva, I.I.C, Jers, C, Nyffenegger, C, Larsen, D.M, Mikkelsen, J.D, Larsen, S.
Deposit date:2013-10-08
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Design of Thermostable Rhamnogalacturonan Lyase Mutants from Bacillus Licheniformis by Combination of Targeted Single Point Mutations.
Appl.Microbiol.Biotechnol., 98, 2014
7C25
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BU of 7c25 by Molmil
Glycosidase Wild Type at pH8.0
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
2OW7
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BU of 2ow7 by Molmil
Golgi alpha-mannosidase II complex with (1R,6S,7R,8S)-1-thioniabicyclo[4.3.0]nonan-7,8-diol chloride
Descriptor: (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
2AZL
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BU of 2azl by Molmil
Crystal structure for the mutant F117E of Thermotoga maritima octaprenyl pyrophosphate synthase
Descriptor: octoprenyl-diphosphate synthase
Authors:Sun, H.Y, Ko, T.P, Kuo, C.J, Guo, R.T, Chou, C.C, Liang, P.H, Wang, A.H.
Deposit date:2005-09-12
Release date:2006-03-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Homodimeric hexaprenyl pyrophosphate synthase from the thermoacidophilic crenarchaeon Sulfolobus solfataricus displays asymmetric subunit structures
J.Bacteriol., 187, 2005
2PC2
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BU of 2pc2 by Molmil
Lysozyme Cocrystallized with Tris-dipicolinate Eu complex
Descriptor: CHLORIDE ION, EUROPIUM ION, Lysozyme C, ...
Authors:Pompidor, G, Vicat, J, Kahn, R.
Deposit date:2007-03-29
Release date:2008-04-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction
Acta Crystallogr.,Sect.D, 66, 2010
7C26
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BU of 7c26 by Molmil
Glycosidase Wild Type at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
2PCD
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BU of 2pcd by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION
Descriptor: FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN)
Authors:Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D.
Deposit date:1994-06-21
Release date:1994-12-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution.
J.Mol.Biol., 244, 1994
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
5WBO
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BU of 5wbo by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
6T9P
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BU of 6t9p by Molmil
Human Butyrylcholinesterase in complex with 2-(N-hydroxyimino)-N-[(1R)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide
Descriptor: (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[1-deoxy-alpha-D-tagatopyranose-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Sinko, G, Marakovic, N, Knezevic, A.
Deposit date:2019-10-28
Release date:2020-07-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases.
Biochem.J., 477, 2020
7BKF
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BU of 7bkf by Molmil
Crystal structure of WT BA3943, a CE4 family pseudoenzyme from Bacillus Anthracis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative polysaccharide deacetylase, SULFATE ION
Authors:Molfetas, A, Kokkinidis, M.
Deposit date:2021-01-15
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:The resurrection of a dead enzyme
To Be Published
2P1M
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BU of 2p1m by Molmil
TIR1-ASK1 complex structure
Descriptor: INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, TRANSPORT INHIBITOR RESPONSE 1 protein
Authors:Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N.
Deposit date:2007-03-05
Release date:2007-04-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
2B1H
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BU of 2b1h by Molmil
Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide
Descriptor: Fab 2219, heavy chain, light chain, ...
Authors:Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A.
Deposit date:2005-09-15
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.
J.Virol., 80, 2006
6IH7
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BU of 6ih7 by Molmil
Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - 3',3'-cGAMP bound form
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, cyclic di nucleotide phoshodiesterase
Authors:Yadav, M, Pal, K, Sen, U.
Deposit date:2018-09-28
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication.
Biochem.J., 476, 2019
7C27
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BU of 7c27 by Molmil
Glycosidase F290Y at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
6TJQ
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BU of 6tjq by Molmil
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside
Descriptor: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
2PF0
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BU of 2pf0 by Molmil
F258I mutant of EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS at 1.9 A
Descriptor: Hypothetical protein XOG1
Authors:Cutfield, S.M, Cutfield, J.F, Patrick, W.M.
Deposit date:2007-04-03
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance.
Febs J., 277, 2010
7B93
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BU of 7b93 by Molmil
Cryo-EM structure of mitochondrial complex I from Mus musculus inhibited by IACS-2858 at 3.0 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one, ...
Authors:Chung, I, Hirst, J.
Deposit date:2020-12-14
Release date:2021-05-26
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Cork-in-bottle mechanism of inhibitor binding to mammalian complex I.
Sci Adv, 7, 2021
6T8M
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BU of 6t8m by Molmil
Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum
Descriptor: CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J.
Deposit date:2019-10-24
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii .
J.Biol.Chem., 295, 2020
5WFU
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BU of 5wfu by Molmil
Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate
Descriptor: 14-3-3 protein beta/alpha, D-MALATE
Authors:Hou, Z.Q, Liu, X.Y.
Deposit date:2017-07-12
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate
To Be Published
2P7K
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BU of 2p7k by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (hexagonal form)
Descriptor: CITRIC ACID, Glyoxalase family protein
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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
2P7Q
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BU of 2p7q by Molmil
Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid
Descriptor: Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007

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