Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2BM2
DownloadVisualize
BU of 2bm2 by Molmil
human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone
Descriptor: 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE
Authors:Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H.
Deposit date:2005-03-09
Release date:2005-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
3LPB
DownloadVisualize
BU of 3lpb by Molmil
Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor
Descriptor: N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M.
Deposit date:2010-02-05
Release date:2010-04-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3QBH
DownloadVisualize
BU of 3qbh by Molmil
Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors
Descriptor: (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1
Authors:Rondeau, J.M.
Deposit date:2011-01-13
Release date:2011-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3K5C
DownloadVisualize
BU of 3k5c by Molmil
Human BACE-1 complex with NB-216
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
7R26
DownloadVisualize
BU of 7r26 by Molmil
PI3K delta in complex with SD5
Descriptor: 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2022-02-04
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
7R2B
DownloadVisualize
BU of 7r2b by Molmil
PI3Kdelta in complex with an inhibitor
Descriptor: (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2022-02-04
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
7TZ7
DownloadVisualize
BU of 7tz7 by Molmil
PI3K alpha in complex with an inhibitor
Descriptor: (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Tang, J.
Deposit date:2022-02-15
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
3PI5
DownloadVisualize
BU of 3pi5 by Molmil
Crystal Structure of Human Beta Secretase in Complex with BFG356
Descriptor: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M.
Deposit date:2010-11-05
Release date:2011-03-23
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4D85
DownloadVisualize
BU of 4d85 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151
Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D88
DownloadVisualize
BU of 4d88 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490
Descriptor: (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D83
DownloadVisualize
BU of 4d83 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment
Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
3QTI
DownloadVisualize
BU of 3qti by Molmil
c-Met Kinase in Complex with NVP-BVU972
Descriptor: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ...
Authors:Appleton, B.A.
Deposit date:2011-02-22
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
5QD7
DownloadVisualize
BU of 5qd7 by Molmil
Crystal structure of BACE complex with BMC014
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
8CXP
DownloadVisualize
BU of 8cxp by Molmil
Characterisation of a Seneca Valley Virus Thermostable Mutant
Descriptor: Capsid protein VP1, Capsid protein VP3, VP2, ...
Authors:Jayawardena, N, Bostina, M, Strauss, M.
Deposit date:2022-05-22
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Characterisation of a Seneca Valley virus thermostable mutant.
Virology, 575, 2022
3VEU
DownloadVisualize
BU of 3veu by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326
Descriptor: (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-09
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
3VF3
DownloadVisualize
BU of 3vf3 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711
Descriptor: (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-09
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
3VG1
DownloadVisualize
BU of 3vg1 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a soaking experiment
Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
8UT7
DownloadVisualize
BU of 8ut7 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-28 days post immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3D28 pFab HC Fv_polyA, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT9
DownloadVisualize
BU of 8ut9 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT6
DownloadVisualize
BU of 8ut6 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3D15 pFab HC Fv_polyA, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT3
DownloadVisualize
BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UWA
DownloadVisualize
BU of 8uwa by Molmil
VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
Descriptor: 09-1B12 heavy chain, 09-1B12 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maurer, D.P.
Deposit date:2023-11-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (4.02 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT8
DownloadVisualize
BU of 8ut8 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT4
DownloadVisualize
BU of 8ut4 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12
Descriptor: 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT5
DownloadVisualize
BU of 8ut5 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody UCA6_N55T
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024

 

12>

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon