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

5L4L
DownloadVisualize
BU of 5l4l by Molmil
polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8
Descriptor: 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
8BR0
DownloadVisualize
BU of 8br0 by Molmil
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin (residue Q3455 to L3863) in complex with 3'deoxyCTP and two manganese cations bound to Latrunculin-B-ADP-Mn-actin
Descriptor: 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
Authors:Texeira-Nuns, M, Retailleau, P, Renault, L.
Deposit date:2022-11-22
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
5EGV
DownloadVisualize
BU of 5egv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
Descriptor: 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-27
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.863 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5L3Z
DownloadVisualize
BU of 5l3z by Molmil
polyketide ketoreductase SimC7 - binary complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-24
Release date:2016-10-05
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5EHW
DownloadVisualize
BU of 5ehw by Molmil
human carbonic anhydrase II in complex with ligand
Descriptor: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B.
Deposit date:2015-10-29
Release date:2016-03-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.392 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
8BOB
DownloadVisualize
BU of 8bob by Molmil
Structural basis for negative regulation of the maltose system
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HTH-type transcriptional regulator MalT, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Chai, J, Wu, Y.
Deposit date:2022-11-15
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for negative regulation of the Escherichia coli maltose system.
Nat Commun, 14, 2023
5MB7
DownloadVisualize
BU of 5mb7 by Molmil
Cocktail experiment B: fragments 224 and 236 at 50mM concentration
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, Endothiapepsin, GLYCEROL
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
2ZXX
DownloadVisualize
BU of 2zxx by Molmil
Crystal structure of Cdt1/geminin complex
Descriptor: DNA replication factor Cdt1, Geminin
Authors:Cho, Y, Lee, C, Hong, B.S, Choi, J.M.
Deposit date:2009-01-08
Release date:2009-02-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibition of the replication licensing factor Cdt1 by geminin
Nature, 430, 2004
5AKY
DownloadVisualize
BU of 5aky by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-05
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5MB6
DownloadVisualize
BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
Descriptor: Endothiapepsin, GLYCEROL, SULFATE ION
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
5MCQ
DownloadVisualize
BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5LOE
DownloadVisualize
BU of 5loe by Molmil
Structure of full length Cody from Bacillus subtilis in complex with Ile
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
Authors:Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
Deposit date:2016-08-09
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
5AKH
DownloadVisualize
BU of 5akh by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5LOJ
DownloadVisualize
BU of 5loj by Molmil
Structure of full length unliganded CodY from Bacillus subtilis
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY
Authors:Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
Deposit date:2016-08-09
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
5LP9
DownloadVisualize
BU of 5lp9 by Molmil
FimA wt from S. flexneri
Descriptor: Major type 1 subunit fimbrin (Pilin)
Authors:Zyla, D, Capitani, G, Prota, A, Glockshuber, R.
Deposit date:2016-08-12
Release date:2017-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.88626635 Å)
Cite:Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 2019
5MBW
DownloadVisualize
BU of 5mbw by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
Descriptor: BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-09
Release date:2017-09-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5MCO
DownloadVisualize
BU of 5mco by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
Descriptor: BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
3RTX
DownloadVisualize
BU of 3rtx by Molmil
Crystal structure of mammalian capping enzyme (Mce1) and Pol II CTD complex
Descriptor: GUANINE, RNA Polymerase II C-terminal domain, mRNA-capping enzyme
Authors:Ghosh, A, Lima, C.D.
Deposit date:2011-05-04
Release date:2011-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural insights to how mammalian capping enzyme reads the CTD code.
Mol.Cell, 43, 2011
4LVR
DownloadVisualize
BU of 4lvr by Molmil
Crystal structure of IFT81 N-terminal domain
Descriptor: Intraflagellar transport protein 81
Authors:Bhogaraju, S.
Deposit date:2013-07-26
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis of Tubulin Transport Within the Cilium by IFT74 and IFT81.
Science, 341, 2013
4LVP
DownloadVisualize
BU of 4lvp by Molmil
Crystal structure of IFT81 N-terminal domain
Descriptor: Intraflagellar transport protein 81, Tantalum
Authors:Bhogaraju, S.
Deposit date:2013-07-26
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Molecular Basis of Tubulin Transport Within the Cilium by IFT74 and IFT81.
Science, 341, 2013
5J5V
DownloadVisualize
BU of 5j5v by Molmil
CdiA-CT from uropathogenic Escherichia coli in complex with cognate immunity protein and CysK
Descriptor: Cysteine synthase A, Immunity protein CdiI, tRNA nuclease CdiA
Authors:Goulding, C.W, Johnson, P.M, Morse, R.P.
Deposit date:2016-04-04
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unraveling the essential role of CysK in CDI toxin activation.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5MB5
DownloadVisualize
BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
5J43
DownloadVisualize
BU of 5j43 by Molmil
CdiA-CT from uropathogenic Escherichia coli in complex with CysK
Descriptor: Cysteine synthase A, tRNA nuclease CdiA
Authors:Morse, R.P, Goulding, C.W, Johnson, P.M.
Deposit date:2016-03-31
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unraveling the essential role of CysK in CDI toxin activation.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8RD8
DownloadVisualize
BU of 8rd8 by Molmil
Cryo-EM structure of P. urativorans 70S ribosome in complex with hibernation factors Balon and RaiA (structure 1).
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S30, ...
Authors:Helena-Bueno, K, Rybak, M.Y, Gagnon, M.G, Hill, C.H, Melnikov, S.V.
Deposit date:2023-12-07
Release date:2024-02-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:A new family of bacterial ribosome hibernation factors.
Nature, 626, 2024
5CP2
DownloadVisualize
BU of 5cp2 by Molmil
Human DNA polymerase lambda L431A mutant- Apoenzyme and complex with 6 paired DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), DNA polymerase lambda, ...
Authors:Liu, M.S, Tsai, M.D.
Deposit date:2015-07-21
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon