Author results

6CWY
  • Download 6cwy
  • View 6cwy
Molmil generated image of 6cwy
CRYSTAL STRUCTURE OF SUMO E1 IN COMPLEX WITH AN ALLOSTERIC INHIBITOR
Descriptor:SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, GLYCEROL, ...
Authors:Lv, Z., Yuan, L., Atkison, J.H., Williams, K.M., Olsen, S.K.
Deposit date:2018-04-01
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
6CWZ
  • Download 6cwz
  • View 6cwz
Molmil generated image of 6cwz
CRYSTAL STRUCTURE OF APO SUMO E1
Descriptor:SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ZINC ION
Authors:Lv, Z., Yuan, L., Atkison, J.H., Williams, K.M., Olsen, S.K.
Deposit date:2018-04-01
Release date:2019-01-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
6BR7
  • Download 6br7
  • View 6br7
Molmil generated image of 6br7
BERYLLIUM FLUORINATED RECEIVER DOMAIN OF BFMR FROM ACINETOBACTER BAUMANNII
Descriptor:Two-component system response regulator protein, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION
Authors:Milton, M.E., Cavanagh, J.
Deposit date:2017-11-30
Release date:2018-02-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism.
J. Mol. Biol., 430, 2018
5KSH
  • Download 5ksh
  • View 5ksh
Molmil generated image of 5ksh
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 2 FROM NEISSERIA GONORRHOEAE CONTAINING AN A501T MUTATION ASSOCIATED WITH CEPHALOSPORIN RESISTANCE
Descriptor:Penicillin-binding protein 2, GLYCEROL, SULFATE ION
Authors:Fedarovich, A., Davies, C.
Deposit date:2016-07-08
Release date:2017-03-01
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Alanine 501 Mutations in Penicillin-Binding Protein 2 from Neisseria gonorrhoeae: Structure, Mechanism, and Effects on Cephalosporin Resistance and Biological Fitness.
Biochemistry, 56, 2017
2NAZ
  • Download 2naz
  • View 2naz
Molmil generated image of 2naz
THE SOLUTION NMR STRUCTURE OF THE C-TERMINAL EFFECTOR DOMAIN OF BFMR FROM ACINETOBACTER BAUMANNII
Descriptor:Transcriptional regulatory protein RstA
Authors:Olson, A.L., Thompson, R.J., Cavanagh, J., Feldmann, E.A., Bobay, B.G.
Deposit date:2016-01-15
Release date:2017-01-18
Last modified:2018-02-28
Method:SOLUTION NMR
Cite:The structure of the biofilm-controlling response regulator BfmR from Acinetobacter baumannii reveals details of its DNA-binding mechanism.
J. Mol. Biol., 2018
5HM6
  • Download 5hm6
  • View 5hm6
Molmil generated image of 5hm6
N-TERMINAL DOMAIN OF BFMR FROM ACINETOBACTER BAUMANNII
Descriptor:BfmR
Authors:Roth, B.R., Davies, C.
Deposit date:2016-01-15
Release date:2017-01-18
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism.
J. Mol. Biol., 2018
5AAU
  • Download 5aau
  • View 5aau
Molmil generated image of 5aau
OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-28
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAV
  • Download 5aav
  • View 5aav
Molmil generated image of 5aav
OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
4U3T
  • Download 4u3t
  • View 4u3t
Molmil generated image of 4u3t
CRYSTAL STRUCTURE OF THE TRANSPEPTIDASE DOMAIN OF NEISSERIA GONORRHOEAE PENICILLIN-BINDING PROTEIN 2 DERIVED FROM THE PENICILLIN-RESISTANT STRAIN 6140
Descriptor:Penicillin-binding protein 2
Authors:Fedarovich, A., Davies, C.
Deposit date:2014-07-22
Release date:2014-12-03
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Effect of the Asp345a Insertion in Penicillin-Binding Protein 2 from Penicillin-Resistant Strains of Neisseria gonorrhoeae.
Biochemistry, 53, 2014
4B2G
  • Download 4b2g
  • View 4b2g
Molmil generated image of 4b2g
CRYSTAL STRUCTURE OF AN INDOLE-3-ACETIC ACID AMIDO SYNTHASE FROM VITIS VINIFERA INVOLVED IN AUXIN HOMEOSTASIS
Descriptor:GH3-1 AUXIN CONJUGATING ENZYME, MALONATE ION, [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1H-indol-3-yl)ethyl hydrogen phosphate
Authors:Peat, T.S., Bottcher, C., Newman, J., Lucent, D., Cowieson, N., Davies, C.
Deposit date:2012-07-16
Release date:2012-12-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of an Indole-3-Acetic Acid Amido Synthetase from Grapevine Involved in Auxin Homeostasis.
Plant Cell, 24, 2012
3UN7
  • Download 3un7
  • View 3un7
Molmil generated image of 3un7
CRYSTAL STRUCTURE OF PBPA FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Penicillin-binding protein A
Authors:Fedarovich, A., Davies, C.
Deposit date:2011-11-15
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UPN
  • Download 3upn
  • View 3upn
Molmil generated image of 3upn
STRUCTURE OF PENICILLIN-BINDING PROTEIN A FROM M. TUBERCULOSIS: IMIPENEM ACYL-ENZYME COMPLEX
Descriptor:Penicillin-binding protein A, (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Authors:Davies, C., Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UPO
  • Download 3upo
  • View 3upo
Molmil generated image of 3upo
STRUCTURE OF PENICILLIN-BINDING PROTEIN A FROM M. TUBERCULOSIS: PENICILLIN G ACYL-ENZYME COMPLEX
Descriptor:Penicillin-binding protein A, OPEN FORM - PENICILLIN G
Authors:Davies, C., Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3UPP
  • Download 3upp
  • View 3upp
Molmil generated image of 3upp
STRUCTURE OF PENICILLIN-BINDING PROTEIN A FROM M. TUBERCULOSIS: CEFTRIXAONE ACYL-ENZYME COMPLEX
Descriptor:Penicillin-binding protein A, CEFOTAXIME, C3' cleaved, ...
Authors:Davies, C., Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
3QTG
  • Download 3qtg
  • View 3qtg
Molmil generated image of 3qtg
CRYSTAL STRUCTURE OF PYRUVATE KINASE FROM PYROBACULUM AEROPHILUM
Descriptor:Pyruvate kinase, SULFATE ION
Authors:Davies, C., Solomons, J.T.G.
Deposit date:2011-02-22
Release date:2012-02-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of pyruvate kinase from the hyperthermophilic archaeon Pyrobaculum aerophilum: insights into cooperative regulation
To be Published
3Q2G
  • Download 3q2g
  • View 3q2g
Molmil generated image of 3q2g
ADAMTS1 IN COMPLEX WITH A NOVEL N-HYDROXYFORMAMIDE INHIBITORS
Descriptor:A disintegrin and metalloproteinase with thrombospondin motifs 1, N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide, ZINC ION, ...
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2010-12-20
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
3Q2H
  • Download 3q2h
  • View 3q2h
Molmil generated image of 3q2h
ADAMTS1 IN COMPLEX WITH N-HYDROXYFORMAMIDE INHIBITORS OF ADAM-TS4
Descriptor:A disintegrin and metalloproteinase with thrombospondin motifs 1, ZINC ION, CADMIUM ION, ...
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2010-12-20
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
3MZD
  • Download 3mzd
  • View 3mzd
Molmil generated image of 3mzd
STRUCTURE OF PENICILLIN-BINDING PROTEIN 5 FROM E. COLI: CLOXACILLIN ACYL-ENZYME COMPLEX
Descriptor:D-alanyl-D-alanine carboxypeptidase dacA, (2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL
Authors:Nicola, G., Tomberg, J., Pratt, R.F., Nicholas, R.A., Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
3MZE
  • Download 3mze
  • View 3mze
Molmil generated image of 3mze
STRUCTURE OF PENICILLIN-BINDING PROTEIN 5 FROM E.COLI: CEFOXITIN ACYL-ENZYME COMPLEX
Descriptor:D-alanyl-D-alanine carboxypeptidase dacA, (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL
Authors:Nicola, G., Tomberg, J., Pratt, R.F., Nicholas, R.A., Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
3MZF
  • Download 3mzf
  • View 3mzf
Molmil generated image of 3mzf
STRUCTURE OF PENICILLIN-BINDING PROTEIN 5 FROM E. COLI: IMIPENEM ACYL-ENZYME COMPLEX
Descriptor:D-alanyl-D-alanine carboxypeptidase dacA, (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, GLYCEROL
Authors:Nicola, G., Tomberg, J., Pratt, R.F., Nicholas, R.A., Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
3LO7
  • Download 3lo7
  • View 3lo7
Molmil generated image of 3lo7
CRYSTAL STRUCTURE OF PBPA FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Penicillin-binding protein A
Authors:Fedarovich, A., Davies, C.
Deposit date:2010-02-03
Release date:2010-03-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unusual conformation of the SxN motif in the crystal structure of penicillin-binding protein A from Mycobacterium tuberculosis.
J.Mol.Biol., 398, 2010
2VGJ
  • Download 2vgj
  • View 2vgj
Molmil generated image of 2vgj
CRYSTAL STRUCTURE OF ACTINOMADURA R39 DD-PEPTIDASE COMPLEXED WITH A PEPTIDOGLYCAN-MIMETIC CEPHALOSPORIN
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, CEPHALOSPORIN, SULFATE ION, ...
Authors:Sauvage, E., kerff, F., Herman, R., Charlier, P.
Deposit date:2007-11-14
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
2VGK
  • Download 2vgk
  • View 2vgk
Molmil generated image of 2vgk
CRYSTAL STRUCTURE OF ACTINOMADURA R39 DD-PEPTIDASE COMPLEXED WITH A PEPTIDOGLYCAN-MIMETIC CEPHALOSPORIN
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, SULFATE ION, ...
Authors:Sauvage, E., kerff, F., Herman, R., Charlier, P.
Deposit date:2007-11-14
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
3EQU
  • Download 3equ
  • View 3equ
Molmil generated image of 3equ
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 2 FROM NEISSERIA GONORRHOEAE
Descriptor:Penicillin-binding protein 2, SULFATE ION, GLYCEROL
Authors:Powell, A.J., Deacon, A.M., Nicholas, R.A., Davies, C.
Deposit date:2008-10-01
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Penicillin-binding Protein 2 from Penicillin-susceptible and -resistant Strains of Neisseria gonorrhoeae Reveal an Unexpectedly Subtle Mechanism for Antibiotic Resistance.
J.Biol.Chem., 284, 2009
3EQV
  • Download 3eqv
  • View 3eqv
Molmil generated image of 3eqv
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 2 FROM NEISSERIA GONORRHOEAE CONTAINING FOUR MUTATIONS ASSOCIATED WITH PENICILLIN RESISTANCE
Descriptor:Penicillin-binding protein 2, SULFATE ION, GLYCEROL
Authors:Powell, A.J., Deacon, A.M., Nicholas, R.A., Davies, C.
Deposit date:2008-10-01
Release date:2008-10-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Penicillin-binding Protein 2 from Penicillin-susceptible and -resistant Strains of Neisseria gonorrhoeae Reveal an Unexpectedly Subtle Mechanism for Antibiotic Resistance.
J.Biol.Chem., 284, 2009
<123>