Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6JTO
DownloadVisualize
BU of 6jto by Molmil
Crystal structure of HLA-C05 in complex with a tumor mut10m peptide
Descriptor: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Lei, Y.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation.
Sci China Life Sci, 2021
7QZ7
DownloadVisualize
BU of 7qz7 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp
Descriptor: DAUNOMYCIN, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
6G0D
DownloadVisualize
BU of 6g0d by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002)
Descriptor: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Bromodomain-containing protein 4
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.314 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
5FJL
DownloadVisualize
BU of 5fjl by Molmil
Crystal structure of raptor adenovirus 1 fibre head, wild-type form
Descriptor: CHLORIDE ION, FIBER PROTEIN
Authors:Nguyen, T.H, van Raaij, M.J.
Deposit date:2015-10-09
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of Raptor Adenovirus 1 Fibre Head and Role of the Beta-Hairpin in Siadenovirus Fibre Head Domains
Virol.J., 13, 2016
7MU3
DownloadVisualize
BU of 7mu3 by Molmil
human carbonic anhydrase 9 mimic with compound
Descriptor: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ...
Authors:Peat, T.S.
Deposit date:2021-05-14
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
8SWL
DownloadVisualize
BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
5FK6
DownloadVisualize
BU of 5fk6 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is CA
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
6R4B
DownloadVisualize
BU of 6r4b by Molmil
Aurora-A in complex with shape-diverse fragment 56
Descriptor: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
8T88
DownloadVisualize
BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
6FPQ
DownloadVisualize
BU of 6fpq by Molmil
Structure of S. pombe Mmi1 in complex with 7-mer RNA
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1
Authors:Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A.
Deposit date:2018-02-11
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
7M7K
DownloadVisualize
BU of 7m7k by Molmil
Crystal structure of uridine bound to Geobacillus thermoglucosidasius pyrimidine nucleoside phosphorylase PyNP
Descriptor: Pyrimidine-nucleoside phosphorylase, SULFATE ION, URIDINE
Authors:Pausch, P, Bange, G.
Deposit date:2021-03-28
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Diversification of 4'-Methylated Nucleosides by Nucleoside Phosphorylases
Acs Catalysis, 2021
5FJJ
DownloadVisualize
BU of 5fjj by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
6DHJ
DownloadVisualize
BU of 6dhj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: CITRIC ACID, Cyanuric acid amidohydrolase
Authors:Shi, K, Aihara, H.
Deposit date:2018-05-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6G0Z
DownloadVisualize
BU of 6g0z by Molmil
Crystal structure of GDP bound RbgA from S. aureus
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Ribosome biogenesis GTPase A
Authors:Pausch, P, Bange, G.
Deposit date:2018-03-20
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for (p)ppGpp-mediated inhibition of the GTPase RbgA.
J. Biol. Chem., 293, 2018
8BIA
DownloadVisualize
BU of 8bia by Molmil
Crystal structure of Scribble PDZ1 with PTHR
Descriptor: PHOSPHATE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog
Authors:Stewart, B.Z, Kvansakul, M.
Deposit date:2022-11-02
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
To Be Published
8TCY
DownloadVisualize
BU of 8tcy by Molmil
Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Descriptor: 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
5FLP
DownloadVisualize
BU of 5flp by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
6FPW
DownloadVisualize
BU of 6fpw by Molmil
Structure of fully reduced Hydrogenase (Hyd-1)
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Armstrong, F.A, Evans, R.M.
Deposit date:2018-02-12
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
5FKS
DownloadVisualize
BU of 5fks by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
Authors:Attia, M, Stepper, J, Davies, G.J, Brumer, H.
Deposit date:2015-10-19
Release date:2015-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
8BIQ
DownloadVisualize
BU of 8biq by Molmil
Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP
Descriptor: 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
Authors:Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2022-11-02
Release date:2023-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
7R0Y
DownloadVisualize
BU of 7r0y by Molmil
ATAD2 in complex with PepLite-Glu
Descriptor: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
6G1I
DownloadVisualize
BU of 6g1i by Molmil
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose
Descriptor: Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ...
Authors:Urresti, S, Davies, G.J, Walton, P.H.
Deposit date:2018-03-21
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8BOE
DownloadVisualize
BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
7QZ9
DownloadVisualize
BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
6FR9
DownloadVisualize
BU of 6fr9 by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2018-02-15
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018

224201

數據於2024-08-28公開中

PDB statisticsPDBj update infoContact PDBjnumon