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6BFY
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BU of 6bfy by Molmil
Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6N5U
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BU of 6n5u by Molmil
Crystal structure of Arabidopsis thaliana ScoI with copper bound
Descriptor: COPPER (I) ION, Protein SCO1 homolog 1, mitochondrial
Authors:Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J.
Deposit date:2018-11-22
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Arabidopsis thaliana Hcc1 is a Sco-like metallochaperone for CuAassembly in Cytochrome c Oxidase.
Febs J., 287, 2020
5BXW
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BU of 5bxw by Molmil
X-ray crystal structure of a continuously hydrogen bonded 14mer DNA lattice.
Descriptor: DNA (5'-D(*GP*GP*AP*AP*AP*GP*CP*TP*TP*GP*GP*AP*GP*A)-3'), MAGNESIUM ION
Authors:Saoji, M, Paukstelis, P.J.
Deposit date:2015-06-09
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Sequence-dependent structural changes in a self-assembling DNA oligonucleotide.
Acta Crystallogr.,Sect.D, 71, 2015
6VU0
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BU of 6vu0 by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FROM THE ESCHERICHIA COLI ENZYME
Descriptor: PEP-protein phosphotransferase system enzyme I, SULFATE ION
Authors:Stewart Jr, C.E.
Deposit date:2020-02-14
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
8QLK
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BU of 8qlk by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 2
Descriptor: ALA-ILE-GLN-SER-GLU-LYS-ALA-ARG-LYS-HIS-ASN, Oligopeptide-binding protein AliB
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
6MVR
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BU of 6mvr by Molmil
Structure of a bacterial ALDH16
Descriptor: Aldehyde dehydrogenase, GLYCEROL, SULFATE ION
Authors:Tanner, J.J, Liu, L.
Deposit date:2018-10-28
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Aldehyde Dehydrogenase 16 Reveals Trans-Hierarchical Structural Similarity and a New Dimer.
J. Mol. Biol., 431, 2019
8QLV
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BU of 8qlv by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4
Descriptor: Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
5C6C
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BU of 5c6c by Molmil
PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ...
Authors:Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
Deposit date:2015-06-22
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
6VSE
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BU of 6vse by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(phenoxymethyl)benzoic acid(fragment 14)
Descriptor: 3-(phenoxymethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6N6R
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BU of 6n6r by Molmil
Crystal structure of ABIN-1 UBAN in complex with two M1-linked di-ubiquitins
Descriptor: TNFAIP3-interacting protein 1, Ubiquitin
Authors:Rahighi, S, Dikic, I, Wakatsuki, S.
Deposit date:2018-11-27
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Recognition of M1-Linked Ubiquitin Chains by Native and Phosphorylated UBAN Domains.
J.Mol.Biol., 431, 2019
8E1G
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BU of 8e1g by Molmil
SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2A10 Fab, heavy chain, ...
Authors:Wasserman, H, Hastie, K.M, Buck, T.K, Saphire, E.O.
Deposit date:2022-08-10
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
8QLM
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BU of 8qlm by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 3
Descriptor: Oligopeptide-binding protein AliB, PRO-ILE-VAL-GLY-GLY-HIS-GLU-GLY-ALA-GLY-VAL
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
7OO1
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BU of 7oo1 by Molmil
Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa.
Descriptor: Pyruvate kinase
Authors:Abdelhamid, Y, Wang, M, Parkhill, S, Brear, P, Welch, M.
Deposit date:2021-05-26
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure, Function and Regulation of a Second Pyruvate Kinase Isozyme in Pseudomonas aeruginosa
Front Microbiol, 12, 2021
5C6K
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BU of 5c6k by Molmil
Bacteriophage P2 integrase catalytic domain
Descriptor: Integrase
Authors:Skaar, K, Claesson, M, Odegrip, R, Eriksson, J, Hogbom, M, Haggard-Ljungquist, E, Stenmark, P.
Deposit date:2015-06-23
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the bacteriophage P2 integrase catalytic domain.
Febs Lett., 589, 2015
6BCI
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BU of 6bci by Molmil
Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex)
Descriptor: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
6N6Y
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BU of 6n6y by Molmil
OXA-23 mutant F110A/M221A neutral pH form meropenem complex
Descriptor: Beta-lactamase oxa23, meropenem, bound form
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-04
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7U55
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BU of 7u55 by Molmil
Crystal structure of Thermoplasmatales archaeon heliorhodopsin at pH 4.5
Descriptor: CHLORIDE ION, DODECANE, Heliorhodopsin, ...
Authors:Besaw, J.E, De Guzman, P, Miller, R.J.D, Ernst, O.P.
Deposit date:2022-03-01
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Low pH structure of heliorhodopsin reveals chloride binding site and intramolecular signaling pathway.
Sci Rep, 12, 2022
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
Descriptor: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
Descriptor: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
8CP5
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BU of 8cp5 by Molmil
Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and Sulphate
Descriptor: DI(HYDROXYETHYL)ETHER, FAD-binding protein, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2023-03-01
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
J.Biol.Chem., 299, 2023
8CGM
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BU of 8cgm by Molmil
Structure of the lipoprotein transporter LolA from Porphyromonas gingivalis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMIC ACID, GLYCEROL, ...
Authors:Persson, K, Jaiman, D, Nagampalli, R.
Deposit date:2023-02-06
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
7XNG
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BU of 7xng by Molmil
Crystal structure of CBP bromodomain liganded with Y08092(31g)
Descriptor: 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
Deposit date:2022-04-28
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of CBP bromodomain liganded with Y08092(31g)
To Be Published
6PJ4
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BU of 6pj4 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-27
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019

224004

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