Author results

2IX2
  • Download 2ix2
  • View 2ix2
Molmil generated image of 2ix2
CRYSTAL STRUCTURE OF THE HETEROTRIMERIC PCNA FROM SULFOLOBUS SOLFATARICUS
Descriptor:DNA POLYMERASE SLIDING CLAMP B, DNA POLYMERASE SLIDING CLAMP C, DNA POLYMERASE SLIDING CLAMP A
Authors:Williams, G.J., Johnson, K., McMahon, S.A., Carter, L., Oke, M., Liu, H., Taylor, G.L., White, M.F., Naismith, J.H.
Deposit date:2006-07-05
Release date:2006-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Heterotrimeric PCNA from Sulfolobus Solfataricus.
Acta Crystallogr.,Sect.F, 62, 2006
2PNX
  • Download 2pnx
  • View 2pnx
Molmil generated image of 2pnx
THE PHD FINGER OF ING4 IN COMPLEX WITH AN H3K4ME3 HISTONE PEPTIDE
Descriptor:Inhibitor of growth protein 4, H3K4Me3 peptide, ZINC ION
Authors:Champagne, K.S., Johnson, K., Kutateladze, T.G.
Deposit date:2007-04-25
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ING4 mediates crosstalk between histone H3 K4 trimethylation and H3 acetylation to attenuate cellular transformation
Mol.Cell, 33, 2009
3C6W
  • Download 3c6w
  • View 3c6w
Molmil generated image of 3c6w
CRYSTAL STRUCTURE OF THE ING5 PHD FINGER IN COMPLEX WITH H3K4ME3 PEPTIDE
Descriptor:Inhibitor of growth protein 5, H3K4me3 histone peptide, ZINC ION
Authors:Champagne, K.S., Pena, P.V., Johnson, K., Kutateladze, T.G.
Deposit date:2008-02-05
Release date:2008-06-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of the ING5 PHD finger in complex with an H3K4me3 histone peptide.
Proteins, 72, 2008
1GJY
  • Download 1gjy
  • View 1gjy
Molmil generated image of 1gjy
THE X-RAY STRUCTURE OF THE SORCIN CALCIUM BINDING DOMAIN (SCBD) PROVIDES INSIGHT INTO THE PHOSPHORYLATION AND CALCIUM DEPENDENT PROCESSESS
Descriptor:SORCIN, SULFATE ION
Authors:Ilari, A., Johnson, K.A., Nastopoulos, V., Tsernoglou, D., Chiancone, E.
Deposit date:2001-08-06
Release date:2002-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of the Sorcin Calcium Binding Domain Provides a Model of Ca(2+)-Dependent Processes in the Full-Length Protein
J.Mol.Biol., 317, 2002
3OHT
  • Download 3oht
  • View 3oht
Molmil generated image of 3oht
CRYSTAL STRUCTURE OF SALMO SALAR P38ALPHA
Descriptor:p38a, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION
Authors:Rothweiler, U., Johnson, K., Engh, R.A.
Deposit date:2010-08-18
Release date:2011-06-29
Last modified:2012-06-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation
J.Mol.Biol., 411, 2011
3PN1
  • Download 3pn1
  • View 3pn1
Molmil generated image of 3pn1
NOVEL BACTERIAL NAD+-DEPENDENT DNA LIGASE INHIBITORS WITH BROAD SPECTRUM POTENCY AND ANTIBACTERIAL EFFICACY IN VIVO
Descriptor:DNA ligase, 2-(butylsulfanyl)adenosine, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
Authors:Mills, S., Eakin, A., Buurman, E., Newman, J., Gao, N., Huynh, H., Johnson, K., Lahiri, S., Shapiro, A., Walkup, G., Wei, Y., Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
4KNR
  • Download 4knr
  • View 4knr
Molmil generated image of 4knr
HIN GLMU BOUND TO WG188
Descriptor:Bifunctional protein GlmU, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, TETRAETHYLENE GLYCOL, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-10
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KNX
  • Download 4knx
  • View 4knx
Molmil generated image of 4knx
HIN GLMU BOUND TO WG176
Descriptor:Bifunctional protein GlmU, [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid, TETRAETHYLENE GLYCOL, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-10
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KPX
  • Download 4kpx
  • View 4kpx
Molmil generated image of 4kpx
HIN GLMU BOUND TO WG766
Descriptor:Bifunctional protein GlmU, SULFATE ION, MAGNESIUM ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-14
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KPZ
  • Download 4kpz
  • View 4kpz
Molmil generated image of 4kpz
HIN GLMU BOUND TO A SMALL MOLECULE FRAGMENT
Descriptor:Bifunctional protein GlmU, 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione, SULFATE ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-14
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KQL
  • Download 4kql
  • View 4kql
Molmil generated image of 4kql
HIN GLMU BOUND TO WG578
Descriptor:Bifunctional protein GlmU, SULFATE ION, MAGNESIUM ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-15
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KW5
  • Download 4kw5
  • View 4kw5
Molmil generated image of 4kw5
M. TUBERCULOSIS DPRE1 IN COMPLEX WITH INHIBITOR TCA1
Descriptor:Oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate, ...
Authors:Batt, S.M., Besra, G.S., Futterer, K.
Deposit date:2013-05-23
Release date:2013-07-10
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
2WML
  • Download 2wml
  • View 2wml
Molmil generated image of 2wml
CRYSTAL STRUCTURE OF A MAMMALIAN SIALYLTRANSFERASE
Descriptor:CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE -ALPHA-2\,3-SIALYLTRANSFERASE, GLYCEROL, CHLORIDE ION
Authors:Rao, F.V., Rich, J.R., Raikic, B., Wakarchuk, W.W., Withers, S.G., Strynadka, N.C.J.
Deposit date:2009-07-01
Release date:2009-10-13
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight Into Mammalian Sialyltransferases.
Nat.Struct.Mol.Biol., 16, 2009
2WNB
  • Download 2wnb
  • View 2wnb
Molmil generated image of 2wnb
CRYSTAL STRUCTURE OF A MAMMALIAN SIALYLTRANSFERASE IN COMPLEX WITH DISACCHARIDE AND CMP
Descriptor:CYTIDINE-5'-MONOPHOSPHATE, HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Rao, F.V., Rich, J.R., Raikic, B., Wakarchuk, W.W., Withers, S.G., Strynadka, N.C.J.
Deposit date:2009-07-08
Release date:2009-10-13
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insight Into Mammalian Sialyltransferases.
Nat.Struct.Mol.Biol., 16, 2009
2WNF
  • Download 2wnf
  • View 2wnf
Molmil generated image of 2wnf
CRYSTAL STRUCTURE OF A MAMMALIAN SIALYLTRANSFERASE IN COMPLEX WITH GAL-BETA-1-3GALNAC-ORTHO-NITROPHENOL
Descriptor:CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Rao, F.V., Rich, J.R., Raikic, B., Wakarchuk, W.W., Withers, S.G., Strynadka, N.C.J.
Deposit date:2009-07-09
Release date:2009-10-13
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Insight Into Mammalian Sialyltransferases.
Nat.Struct.Mol.Biol., 16, 2009
3IJG
  • Download 3ijg
  • View 3ijg
Molmil generated image of 3ijg
MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) BOUND TO THE (R)-STEREOISOMER OF AV1013
Descriptor:Macrophage migration inhibitory factor, CHLORIDE ION, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
Authors:Crichlow, G.V., Cho, Y., Lolis, E.J.
Deposit date:2009-08-04
Release date:2010-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IJJ
  • Download 3ijj
  • View 3ijj
Molmil generated image of 3ijj
TERNARY COMPLEX OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) BOUND BOTH TO 4-HYDROXYPHENYLPYRUVATE AND TO THE ALLOSTERIC INHIBITOR AV1013 (R-STEREOISOMER)
Descriptor:Macrophage migration inhibitory factor, (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ...
Authors:Crichlow, G.V., Cho, Y., Lolis, E.J.
Deposit date:2009-08-04
Release date:2010-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
5FED
  • Download 5fed
  • View 5fed
Molmil generated image of 5fed
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE INHIBITOR.
Descriptor:Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
  • Download 5fee
  • View 5fee
Molmil generated image of 5fee
EGFR KINASE DOMAIN T790M MUTANT IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE INHIBITOR.
Descriptor:Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEQ
  • Download 5feq
  • View 5feq
Molmil generated image of 5feq
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
Descriptor:Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
Authors:DiDonato, M., Spraggon, G.
Deposit date:2015-12-17
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FX5
  • Download 5fx5
  • View 5fx5
Molmil generated image of 5fx5
NOVEL INHIBITORS OF HUMAN RHINOVIRUS 3C PROTEASE
Descriptor:RHINOVIRUS 3C PROTEASE, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Kawatkar, S., Ek, M., Hoesch, V., Gagnon, M., Nilsson, E., Lister, T., Olsson, L., Patel, J., Yu, Q.
Deposit date:2016-02-24
Release date:2016-06-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
5FX6
  • Download 5fx6
  • View 5fx6
Molmil generated image of 5fx6
NOVEL INHIBITORS OF HUMAN RHINOVIRUS 3C PROTEASE
Descriptor:RHINOVIRUS 3C PROTEASE, ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Authors:Kawatkar, S., Ek, M., Hoesch, V., Gagnon, M., Nilsson, E., Lister, T., Olsson, L., Patel, J., Yu, Q.
Deposit date:2016-02-24
Release date:2016-06-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
5I5K
  • Download 5i5k
  • View 5i5k
Molmil generated image of 5i5k
STRUCTURE OF COMPLEMENT C5 IN COMPLEX WITH ECULIZUMAB
Descriptor:Complement C5, Eculizumab heavy chain (variable domain), Eculizumab light chain (variable domain), ...
Authors:Schatz-Jakobsen, J.A., Andersen, G.R.
Deposit date:2016-02-15
Release date:2016-03-16
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural Basis for Eculizumab-Mediated Inhibition of the Complement Terminal Pathway.
J Immunol., 197, 2016
5WO4
  • Download 5wo4
  • View 5wo4
Molmil generated image of 5wo4
JAK1 COMPLEXED WITH COMPOUND 28
Descriptor:Tyrosine-protein kinase JAK1, 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide
Authors:Lesburg, C.A., Patel, S.B.
Deposit date:2017-08-01
Release date:2017-12-06
Last modified:2017-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
2LEU
  • Download 2leu
  • View 2leu
Molmil generated image of 2leu
HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN 90% AQUEOUS TRIFLUOROETHANOL (TFE) (0.1% TFA), 18 STRUCTURES
Descriptor:LEUCOCIN A
Authors:Gallagher, N.L.F., Sailer, M., Niemczura, W.P., Nakashima, T.T., Stiles, M.E., Vederas, J.C.
Deposit date:1997-05-20
Release date:1997-11-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional structure of leucocin A in trifluoroethanol and dodecylphosphocholine micelles: spatial location of residues critical for biological activity in type IIa bacteriocins from lactic acid bacteria.
Biochemistry, 36, 1997
<12>
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan