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7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-07-25
Release date:2021-05-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CQD
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BU of 7cqd by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Tamura-Sakaguchi, R, Aruga, R, Nogi, T.
Deposit date:2020-08-10
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
2MJ7
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BU of 2mj7 by Molmil
Solution NMR structure of beta-adaptin appendage domain of human adaptor protein complex 4 subunit beta, Northeast Structural Genomics Consortium (NESG) Target HR8998C
Descriptor: AP-4 complex subunit beta-1
Authors:Eletsky, A, Rotshteyn, D.J, Pederson, K, Shastry, R, Maglaqui, M, Janjua, H, Xiao, R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-12-26
Release date:2014-01-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of beta-adaptin appendage domain of human adaptor protein complex 4 subunit beta, Northeast Structural Genomics Consortium (NESG) Target HR8998C
To be Published
1NHU
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BU of 1nhu by Molmil
Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor
Descriptor: (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
Authors:Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G.
Deposit date:2002-12-19
Release date:2003-03-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition
J.Biol.Chem., 278, 2003
7CIN
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BU of 7cin by Molmil
Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop
Descriptor: Beta-lactamase, SULFATE ION
Authors:Jeong, B.G, Cha, S.S.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79006362 Å)
Cite:Crystal structure of AmpC BER and molecular docking lead to the discovery of broad inhibition activities of halisulfates against beta-lactamases.
Comput Struct Biotechnol J, 19, 2021
1IVL
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BU of 1ivl by Molmil
THE DE NOVO DESIGN OF AN ANTIBODY COMBINING SITE: CRYSTALLOGRAPHIC ANALYSIS OF THE VL DOMAIN CONFIRMS THE STRUCTURAL MODEL
Descriptor: IGG-KAPPA M29B FV (LIGHT CHAIN), ISOPROPYL ALCOHOL
Authors:Essen, L.-O, Skerra, A.
Deposit date:1994-05-04
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The de novo design of an antibody combining site. Crystallographic analysis of the VL domain confirms the structural model.
J.Mol.Biol., 238, 1994
2LZJ
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BU of 2lzj by Molmil
Refined solution structure and dynamics of First Catalytic Cysteine Half-domain from mouse E1 enzyme
Descriptor: Ubiquitin-like modifier-activating enzyme 1
Authors:Jaremko, M, Jaremko, L, Nowakowski, M, Szczepanowski, R.H, Filipek, R, Wojciechowski, M, Bochtler, M, Ejchart, A.
Deposit date:2012-10-03
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structural studies of the first catalytic half-domain of ubiquitin activating enzyme.
J.Struct.Biol., 185, 2014
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
2MC6
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BU of 2mc6 by Molmil
A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement
Descriptor: DNA-directed RNA polymerase subunit beta', RNA polymerase inhibitor p7
Authors:Liu, B, Shadrin, A, Sheppard, C, Xu, Y, Severinov, K, Matthews, S, Wigneshweraraj, S.
Deposit date:2013-08-15
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement.
Nucleic Acids Res., 42, 2014
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7CQC
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BU of 7cqc by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Aruga, R, Tamura-Sakaguchi, R, Nogi, T.
Deposit date:2020-08-10
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
8TT4
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BU of 8tt4 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=6.0
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
2MF1
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BU of 2mf1 by Molmil
Structural basis of the non-coding RNA RsmZ acting as protein sponge: Conformer R of RsmZ(1-72)/RsmE(dimer) 1to3 complex
Descriptor: Carbon storage regulator homolog, RNA_(72-MER)
Authors:Duss, O, Michel, E, Yulikov, M, Schubert, M, Jeschke, G, Allain, F.H.-T.
Deposit date:2013-10-02
Release date:2014-05-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of the non-coding RNA RsmZ acting as a protein sponge.
Nature, 509, 2014
2MIZ
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BU of 2miz by Molmil
Structure of the m04/gp34 mouse Cytomegalovirus Immunoevasin core domain
Descriptor: m04 immunoevasin
Authors:Sgourakis, N.G, Natarajan, K, Margulies, D.H, Bax, A.
Deposit date:2013-12-21
Release date:2014-07-16
Last modified:2014-10-22
Method:SOLUTION NMR
Cite:The Structure of Mouse Cytomegalovirus m04 Protein Obtained from Sparse NMR Data Reveals a Conserved Fold of the m02-m06 Viral Immune Modulator Family.
Structure, 22, 2014
7CRA
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BU of 7cra by Molmil
Crystal structure of the N-terminal fragment (residue 1-291) of LonA protease from Meiothermus taiwanensis
Descriptor: Lon protease, SULFATE ION
Authors:Lin, C.-C, Chang, C.-I.
Deposit date:2020-08-13
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular insights into substrate recognition and discrimination by the N-terminal domain of Lon AAA+ protease.
Elife, 10, 2021
6ALE
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BU of 6ale by Molmil
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model
Descriptor: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin-2, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2017-08-07
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
2MNZ
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BU of 2mnz by Molmil
NMR Structure of KDM5B PHD1 finger in complex with H3K4me0(1-10aa)
Descriptor: H3K4me0, Lysine-specific demethylase 5B, ZINC ION
Authors:Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C.
Deposit date:2014-04-16
Release date:2014-08-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B.
Protein Cell, 5, 2014
2M9W
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BU of 2m9w by Molmil
Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B
Descriptor: Transcription factor GATA-4, ZINC ION
Authors:Xu, X, Eletsky, A, Lee, D, Kohn, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-20
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B
To be Published
7C8E
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BU of 7c8e by Molmil
Crystal Structure of 14-3-3 epsilon with 9J10 peptide
Descriptor: 14-3-3 protein epsilon, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9J10
Authors:Mathivanan, S, Sudhakar, S, Bairy, S, Kamariah, N, Venkitaraman, A.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Target identification for small-molecule discovery in the FOXO3a tumor-suppressor pathway using a biodiverse peptide library.
Cell Chem Biol, 28, 2021
7CR9
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BU of 7cr9 by Molmil
Crystal structure of the N-terminal fragment (residue 1-206) of LonA protease from Meiothermus taiwanensis
Descriptor: Lon protease
Authors:Lin, C.-C, Chang, C.-I.
Deposit date:2020-08-12
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Molecular insights into substrate recognition and discrimination by the N-terminal domain of Lon AAA+ protease.
Elife, 10, 2021
7C8H
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BU of 7c8h by Molmil
Ambient temperature structure of Bifidobacterium longum phosphoketolase with thiamine diphosphate
Descriptor: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, MALONIC ACID, ...
Authors:Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
1JAV
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BU of 1jav by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF THE TRP-RICH PEPTIDE OF HIV GP41 BOUND TO DPC MICELLES
Descriptor: TRANSMEMBRANE GLYCOPROTEIN (GP41)
Authors:Schibli, D.J, Montelaro, R.C, Vogel, H.J.
Deposit date:2001-05-31
Release date:2001-10-17
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The membrane-proximal tryptophan-rich region of the HIV glycoprotein, gp41, forms a well-defined helix in dodecylphosphocholine micelles.
Biochemistry, 40, 2001

223790

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