Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1939 results

4Q6X
DownloadVisualize
BU of 4q6x by Molmil
Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution
Descriptor: MAGNESIUM ION, Phospholipase D StSicTox-betaIC1
Authors:Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H.
Deposit date:2014-04-23
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders.
J.Biol.Chem., 290, 2015
4Q9S
DownloadVisualize
BU of 4q9s by Molmil
Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-01
Release date:2014-07-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
4R0R
DownloadVisualize
BU of 4r0r by Molmil
Ebolavirus GP Prehairpin Intermediate Mimic
Descriptor: eboIZN21
Authors:Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S.
Deposit date:2014-08-01
Release date:2014-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
4R3C
DownloadVisualize
BU of 4r3c by Molmil
Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ...
Authors:Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M.
Deposit date:2014-08-14
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
4RA5
DownloadVisualize
BU of 4ra5 by Molmil
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Descriptor: (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ...
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-09-09
Release date:2014-10-08
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
4TMD
DownloadVisualize
BU of 4tmd by Molmil
X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis
Descriptor: IODIDE ION, Uncharacterized protein
Authors:Horanyi, P.S, Dranow, D.M, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-01
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis
To Be Published
4S0V
DownloadVisualize
BU of 4s0v by Molmil
Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant
Descriptor: Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
Authors:Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M.
Deposit date:2015-01-06
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.
Nature, 519, 2015
4S0T
DownloadVisualize
BU of 4s0t by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1
Descriptor: Adnectin-1, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A, Camac, D.M.
Deposit date:2015-01-05
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4TMA
DownloadVisualize
BU of 4tma by Molmil
Crystal structure of gyrase bound to its inhibitor YacG
Descriptor: DNA gyrase inhibitor YacG, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Vos, S.M, Lyubimov, A.Y, Hershey, D.M, Schoeffler, A.J, Berger, J.M.
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Direct control of type IIA topoisomerase activity by a chromosomally encoded regulatory protein.
Genes Dev., 28, 2014
4Q9Z
DownloadVisualize
BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
4QTP
DownloadVisualize
BU of 4qtp by Molmil
Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
Descriptor: 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ...
Authors:Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-07-08
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
4R0X
DownloadVisualize
BU of 4r0x by Molmil
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G.
Deposit date:2014-08-02
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
4RA4
DownloadVisualize
BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Descriptor: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-09-09
Release date:2014-10-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
4TVM
DownloadVisualize
BU of 4tvm by Molmil
Structure of Citrate Synthase from Mycobacterium tuberculosis
Descriptor: Citrate synthase, OXALOACETATE ION
Authors:Ferraris, D.M, Rizzi, M.
Deposit date:2014-06-27
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis.
Proteins, 83, 2015
5H81
DownloadVisualize
BU of 5h81 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
6D9H
DownloadVisualize
BU of 6d9h by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
Descriptor: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A.
Deposit date:2018-04-29
Release date:2018-06-20
Last modified:2018-07-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the adenosine-bound human adenosine A1receptor-Gicomplex.
Nature, 558, 2018
5H83
DownloadVisualize
BU of 5h83 by Molmil
HETEROYOHIMBINE SYNTHASE HYS FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase HYS
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5H82
DownloadVisualize
BU of 5h82 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5HS3
DownloadVisualize
BU of 5hs3 by Molmil
Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase
Authors:Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P.
Deposit date:2016-01-25
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
Nat Commun, 7, 2016
5HW9
DownloadVisualize
BU of 5hw9 by Molmil
Filamentous Assembly of Green Fluorescent Protein Supported by a C-terminal fusion of 18-residues, viewed in space group P21
Descriptor: Green fluorescent protein
Authors:Sawaya, M.R, Heller, D.M, McPartland, L, Hochschild, A, Eisenberg, D.S.
Deposit date:2016-01-29
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Green Fluorescent Protein Fusion that Self Assembles as Polar Filaments
to be published
5HBD
DownloadVisualize
BU of 5hbd by Molmil
Filamentous Assembly of Green Fluorescent Protein Supported by a C-terminal fusion of 18-residues, viewed in space group C2
Descriptor: Green fluorescent protein
Authors:Sawaya, M.R, Hochschild, A, Heller, D.M, McPartland, L, Eisenberg, D.S.
Deposit date:2015-12-31
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Green Fluorescent Protein Fusion that Self Assembles as Polar Filaments
to be published
5HFK
DownloadVisualize
BU of 5hfk by Molmil
CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
Descriptor: Disulfide-bond oxidoreductase YfcG, GLUTATHIONE
Authors:Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-01-07
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
TO BE PUBLISHED
5HKF
DownloadVisualize
BU of 5hkf by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Orotate phosphoribosyltransferase
Authors:Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M.
Deposit date:2016-01-14
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
5HIE
DownloadVisualize
BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HKI
DownloadVisualize
BU of 5hki by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate
Descriptor: Iron(III) dicitrate, Orotate phosphoribosyltransferase
Authors:Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M.
Deposit date:2016-01-14
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017

224004

數據於2024-08-21公開中

PDB statisticsPDBj update infoContact PDBjnumon