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5M5D
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BU of 5m5d by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-21
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
7NPH
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BU of 7nph by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid
Descriptor: 5-methoxy-1,3-benzoxazole-2-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase, PHOSPHATE ION
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-26
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8WE7
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BU of 8we7 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
6ON4
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BU of 6on4 by Molmil
Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid
Descriptor: HTH-type transcriptional repressor NanR, N-acetyl-beta-neuraminic acid, ZINC ION, ...
Authors:Horne, C.R, Panjikar, S, North, R.A, Dobson, R.C.J.
Deposit date:2019-04-19
Release date:2020-07-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
J. Bacteriol., 195, 2013
6ONB
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BU of 6onb by Molmil
Crystal Structure of the ZIG-8-RIG-5 IG1-IG1 heterodimer, monoclinic form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NeuRonal IgCAM-5, ...
Authors:Cheng, S, Kurleto, J.D, Ozkan, E.
Deposit date:2019-04-20
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc.Natl.Acad.Sci.USA, 116, 2019
7NNR
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BU of 7nnr by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with xanthene-9-carboxylic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9~{H}-xanthene-9-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
9BW8
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BU of 9bw8 by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Fluorinated Biarylitide
Descriptor: Cytochrome P450-SU1, Fluorinated Biarylitide, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2024-05-21
Release date:2024-11-20
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Loss of fluorine during crosslinking by the biarylitide P450 Blt proceeds due to restricted peptide orientation.
Chem.Commun.(Camb.), 60, 2024
9BWH
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BU of 9bwh by Molmil
Crystal structure of cellulose oxidative enzyme with glycerol
Descriptor: COPPER (II) ION, Cellulose oxidative enzyme, GLYCEROL
Authors:Morais, M.A.B, Santos, C.A, Araujo, E.A, Santos, C.R, Morao, L.G, Motta, M.L, Murakami, M.T.
Deposit date:2024-05-21
Release date:2024-12-04
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A metagenomic 'dark matter' enzyme catalyses oxidative cellulose conversion.
Nature, 639, 2025
1ZGL
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BU of 1zgl by Molmil
Crystal structure of 3A6 TCR bound to MBP/HLA-DR2a
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, Myelin basic protein, ...
Authors:Li, Y, Huang, Y, Lue, J, Quandt, J.A, Martin, R, Mariuzza, R.A.
Deposit date:2005-04-21
Release date:2005-10-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a human autoimmune TCR bound to a myelin basic protein self-peptide and a multiple sclerosis-associated MHC class II molecule.
Embo J., 24, 2005
5LDH
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BU of 5ldh by Molmil
STRUCTURE OF THE ACTIVE TERNARY COMPLEX OF PIG HEART LACTATE DEHYDROGENASE WITH S-LAC-NAD AT 2.7 ANGSTROMS RESOLUTION
Descriptor: (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE, CITRIC ACID, LACTATE DEHYDROGENASE
Authors:Grau, U.M, Rossmann, M.G.
Deposit date:1980-10-29
Release date:1981-03-04
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the active ternary complex of pig heart lactate dehydrogenase with S-lac-NAD at 2.7 A resolution.
J.Mol.Biol., 151, 1981
9BWF
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BU of 9bwf by Molmil
Crystal structure of cellulose oxidative enzyme without ligand
Descriptor: COPPER (II) ION, Cellulose oxidative enzyme
Authors:Morais, M.A.B, Santos, C.A, Araujo, E.A, Santos, C.R, Morao, L.G, Motta, M.L, Murakami, M.T.
Deposit date:2024-05-21
Release date:2024-12-04
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A metagenomic 'dark matter' enzyme catalyses oxidative cellulose conversion.
Nature, 639, 2025
7NNI
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BU of 7nni by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC apoenzyme
Descriptor: N-acetyl-gamma-glutamyl-phosphate reductase
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
6OBN
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BU of 6obn by Molmil
The crystal structure of coexpressed SDS22:PP1 complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
5M2E
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BU of 5m2e by Molmil
Apo structure of Pseudomonas aeruginosa Isocitrate Dehydrogenase, ICD.
Descriptor: Isocitrate dehydrogenase [NADP]
Authors:Crousilles, A, Welch, M.
Deposit date:2016-10-12
Release date:2017-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gluconeogenic precursor availability regulates flux through the glyoxylate shunt inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
6OC1
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BU of 6oc1 by Molmil
Crystal structure of human DHODH with TAK-632
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Durst, M.A, Lavie, A.
Deposit date:2019-03-21
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
8V44
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BU of 8v44 by Molmil
N-terminal truncation of CRISPR-associated DinG
Descriptor: CasDinG
Authors:Hallmark, T, Jackson, R.N.
Deposit date:2023-11-28
Release date:2024-01-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The N-terminal domain of Type IV-A1 CRISPR-associated DinG is vulnerable to proteolysis.
MicroPubl Biol, 2024, 2024
5LYM
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BU of 5lym by Molmil
STUDIES OF MONOCLINIC HEN EGG WHITE LYSOZYME. IV. X-RAY REFINEMENT AT 1.8 ANGSTROM RESOLUTION AND A COMPARISON OF THE VARIABLE REGIONS IN THE POLYMORPHIC FORMS
Descriptor: LYSOZYME, NITRATE ION
Authors:Rao, S.T, Sundaralingam, M.
Deposit date:1995-07-20
Release date:1995-10-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Studies of monoclinic hen egg-white lysozyme. IV. X-ray refinement at 1.8 A resolution and a comparison of the variable regions in the polymorphic forms.
Acta Crystallogr.,Sect.D, 52, 1996
6OCN
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BU of 6ocn by Molmil
Montbretin A analogue M06-MbA in complex with Human pancreatic alpha-amylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2019-03-25
Release date:2020-02-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.147 Å)
Cite:Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic alpha-amylase.
Chem Sci, 10, 2019
8VJ3
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BU of 8vj3 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (FAD bound)
Descriptor: Betaine aldehyde dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-05
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (FAD bound)
To be published
6OHB
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BU of 6ohb by Molmil
E. coli Guanine Deaminase
Descriptor: Guanine deaminase, ZINC ION
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
5CAM
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BU of 5cam by Molmil
Crystal Structure of the Cytoplasmic Domain of the Pseudomonas putida Anti-sigma Factor PupR (SeMet)
Descriptor: PupR protein
Authors:Jensen, J.L, Colbert, C.L.
Deposit date:2015-06-29
Release date:2015-09-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Mechanistic Implications of the Unique Structural Features and Dimerization of the Cytoplasmic Domain of the Pseudomonas Sigma Regulator, PupR.
Biochemistry, 54, 2015
8VR0
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BU of 8vr0 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
To be published
8VR1
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BU of 8vr1 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
Descriptor: Betaine aldehyde dehydrogenase, CYTIDINE-5'-TRIPHOSPHATE, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
To be published
9C3H
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BU of 9c3h by Molmil
Structure of the CNOT3-bound human 80S ribosome with tRNA-ARG in the P-site.
Descriptor: 18S rRNA, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 28S rRNA, ...
Authors:Erzberger, J.P, Cruz, V.E.
Deposit date:2024-06-01
Release date:2024-12-04
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Specific tRNAs promote mRNA decay by recruiting the CCR4-NOT complex to translating ribosomes.
Science, 386, 2024

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건을2025-05-14부터공개중

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