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

2OGZ
DownloadVisualize
BU of 2ogz by Molmil
Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor
Descriptor: 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE, Dipeptidyl peptidase
Authors:Timm, D.E.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site.
Bioorg.Med.Chem.Lett., 17, 2007
6VPT
DownloadVisualize
BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
Descriptor: Cyclase
Authors:Zhang, T, Prach, L, DiMaio, F, Siegel, J.
Deposit date:2020-02-04
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
4WRP
DownloadVisualize
BU of 4wrp by Molmil
The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
Descriptor: Uncharacterized protein
Authors:Cuff, M.E, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-10-24
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.
To Be Published
6QFI
DownloadVisualize
BU of 6qfi by Molmil
Structure of human Mcl-1 in complex with BIM BH3 peptide
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
2WU1
DownloadVisualize
BU of 2wu1 by Molmil
Glucosamine-6-Phosphate Deaminase Complexed with the Allosteric Activator N-Acetyl-Glucoamine-6-Phosphate both in the Active and Allosteric sites.
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL, GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rudino-Pinera, E, Rojas-Trejo, S.P, Horjales, E.
Deposit date:2009-09-25
Release date:2009-10-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glucosamine-6-Phosphate Deaminase Mechanism: The Substrate Piranosic Ring Opening
To be Published
2BE0
DownloadVisualize
BU of 2be0 by Molmil
Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site.
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-21
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
5ARF
DownloadVisualize
BU of 5arf by Molmil
SMYD2 in complex with small molecule inhibitor compound-2
Descriptor: N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
Authors:Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
3IWB
DownloadVisualize
BU of 3iwb by Molmil
T. maritima AdoMetDC in processed form
Descriptor: S-adenosylmethionine decarboxylase
Authors:Bale, S, Kavita, B, Ealick, S.E.
Deposit date:2009-09-02
Release date:2010-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity.
Acta Crystallogr.,Sect.D, 66, 2010
8YQ4
DownloadVisualize
BU of 8yq4 by Molmil
Structure of mBaoJin2
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V.
Deposit date:2024-03-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of mBaoJin2
To Be Published
6KBB
DownloadVisualize
BU of 6kbb by Molmil
Role of the DEF/Y motif of Swc5 in histone H2A.Z deposition
Descriptor: Histone H2A type 1-D, Histone H2B type 2-E, SWR1-complex protein 5
Authors:Huang, Y, Zhou, Z.
Deposit date:2019-06-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.365 Å)
Cite:Role of a DEF/Y motif in histone H2A-H2B recognition and nucleosome editing.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VMG
DownloadVisualize
BU of 6vmg by Molmil
Chloroplast ATP synthase (O3, CF1FO)
Descriptor: ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ...
Authors:Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
Deposit date:2020-01-27
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.46 Å)
Cite:Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
5BXL
DownloadVisualize
BU of 5bxl by Molmil
Yeast 20S proteasome beta2-G170A mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-06-09
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Defective immuno- and thymoproteasome assembly causes severe immunodeficiency.
Sci Rep, 8, 2018
5FHV
DownloadVisualize
BU of 5fhv by Molmil
Crystal structure of mCherry after reaction with 2-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2015-12-22
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Efficient switching of mCherry fluorescence using chemical caging.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VK2
DownloadVisualize
BU of 5vk2 by Molmil
Structural basis for antibody-mediated neutralization of Lassa virus
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hastie, K.M, Zandonatti, M.A, Kleinfelter, L.M, Rowland, M.L, Rowland, M.M, Chandra, K, Branco, L.M, Robinson, J.E, Garry, R.F, Saphire, E.O.
Deposit date:2017-04-20
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis for antibody-mediated neutralization of Lassa virus.
Science, 356, 2017
3V51
DownloadVisualize
BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
8E04
DownloadVisualize
BU of 8e04 by Molmil
Structure of monomeric LRRK1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
Authors:Reimer, J.M, Mathea, S, Chatterjee, D, Knapp, S, Leschziner, A.E.
Deposit date:2022-08-08
Release date:2023-08-30
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nat.Struct.Mol.Biol., 30, 2023
3V5P
DownloadVisualize
BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3P6Z
DownloadVisualize
BU of 3p6z by Molmil
Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
5C0X
DownloadVisualize
BU of 5c0x by Molmil
Structure of a 12-subunit nuclear exosome complex bound to structured RNA
Descriptor: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
Authors:Makino, D.L, Conti, E.
Deposit date:2015-06-12
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.812 Å)
Cite:RNA degradation paths in a 12-subunit nuclear exosome complex.
Nature, 524, 2015
5J6T
DownloadVisualize
BU of 5j6t by Molmil
NMR structures of hylin-a1 analogs: Hylin-Ac
Descriptor: Hylin-a1
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
5J6W
DownloadVisualize
BU of 5j6w by Molmil
NMR structures of hylin-a1 analogs: Hylin-K
Descriptor: Hylin-K
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
5J6V
DownloadVisualize
BU of 5j6v by Molmil
NMR structures of hylin-a1 analogs: Hylin-D
Descriptor: Hylin-D
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
9AXC
DownloadVisualize
BU of 9axc by Molmil
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
Authors:Quade, B, Cohen, S.E, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
4QR9
DownloadVisualize
BU of 4qr9 by Molmil
Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA
Descriptor: DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION
Authors:Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two high-mobility group box domains act together to underwind and kink DNA.
Acta Crystallogr.,Sect.D, 71, 2015
6WU0
DownloadVisualize
BU of 6wu0 by Molmil
CryoEM structure of Burkholderia pseudomallei hopanoid biosynthesis-associated RND transporter HpnN
Descriptor: Hopanoid biosynthesis associated RND transporter like protein HpnN
Authors:Lyu, M, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon