Author results

1HVS
  • Download 1hvs
  • View 1hvs
Molmil generated image of 1hvs
STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Baldwin, E.T., Bhat, T.N., Liu, B., Pattabiraman, N., Erickson, J.W.
Deposit date:1994-11-17
Release date:1995-02-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase.
Nat.Struct.Biol., 2, 1995
1LYA
  • Download 1lya
  • View 1lya
Molmil generated image of 1lya
CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN
Descriptor:CATHEPSIN D, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Baldwin, E.T., Bhat, T.N., Gulnik, S., Erickson, J.W.
Deposit date:1993-04-22
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
1LYB
  • Download 1lyb
  • View 1lyb
Molmil generated image of 1lyb
CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN
Descriptor:CATHEPSIN D, PEPSTATIN, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Baldwin, E.T., Bhat, T.N., Gulnik, S., Erickson, J.W.
Deposit date:1993-04-22
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
3IL8
  • Download 3il8
  • View 3il8
Molmil generated image of 3il8
CRYSTAL STRUCTURE OF INTERLEUKIN 8: SYMBIOSIS OF NMR AND CRYSTALLOGRAPHY
Descriptor:INTERLEUKIN-8
Authors:Baldwin, E.T., Weber, I.T., St Charles, R., Xuan, J.-C., Appella, E., Yamada, M., Matsushima, K., Edwards, B.F.P., Clore, G.M., Gronenborn, A.M., Wlodawer, A.
Deposit date:1990-12-07
Release date:1992-10-15
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of interleukin 8: symbiosis of NMR and crystallography.
Proc.Natl.Acad.Sci.USA, 88, 1991
1BHO
  • Download 1bho
  • View 1bho
Molmil generated image of 1bho
MAC-1 I DOMAIN MAGNESIUM COMPLEX
Descriptor:CD11B, MAGNESIUM ION
Authors:Baldwin, E.T.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1BHQ
  • Download 1bhq
  • View 1bhq
Molmil generated image of 1bhq
MAC-1 I DOMAIN CADMIUM COMPLEX
Descriptor:CD11B, CADMIUM ION, ACETYL GROUP
Authors:Baldwin, E.T.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1IDN
  • Download 1idn
  • View 1idn
Molmil generated image of 1idn
MAC-1 I DOMAIN METAL FREE
Descriptor:CD11B
Authors:Baldwin, E.T.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1LMH
  • Download 1lmh
  • View 1lmh
Molmil generated image of 1lmh
CRYSTAL STRUCTURE OF S. AUREUS PEPTIDE DEFORMYLASE
Descriptor:PROTEIN (S.aureus peptide deformylase), ZINC ION
Authors:Baldwin, E.T., Harris, M.S.
Deposit date:2002-05-01
Release date:2002-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Type II peptide deformylase from Staphylococcus aureus
J.Biol.Chem., 277, 2002
1HVC
  • Download 1hvc
  • View 1hvc
Molmil generated image of 1hvc
CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N., Baldwin, E.T., Erickson, J.W.
Deposit date:1994-06-22
Release date:1994-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
1HSK
  • Download 1hsk
  • View 1hsk
Molmil generated image of 1hsk
CRYSTAL STRUCTURE OF S. AUREUS MURB
Descriptor:UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Benson, T.E., Harris, M.S., Choi, G.H., Cialdella, J.I., Herberg, J.T., Martin Jr., J.P., Baldwin, E.T.
Deposit date:2000-12-27
Release date:2001-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural variation for MurB: X-ray crystal structure of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
Biochemistry, 40, 2001
1HVI
  • Download 1hvi
  • View 1hvi
Molmil generated image of 1hvi
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N., Hosur, M.V., Baldwin, E.T., Erickson, J.W.
Deposit date:1994-01-26
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVJ
  • Download 1hvj
  • View 1hvj
Molmil generated image of 1hvj
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N., Hosur, M.V., Baldwin, E.T., Erickson, J.W.
Deposit date:1994-01-26
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVK
  • Download 1hvk
  • View 1hvk
Molmil generated image of 1hvk
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N., Hosur, M.V., Baldwin, E.T., Erickson, J.W.
Deposit date:1994-01-26
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVL
  • Download 1hvl
  • View 1hvl
Molmil generated image of 1hvl
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
Descriptor:HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N., Hosur, M.V., Baldwin, E.T., Erickson, J.W.
Deposit date:1994-01-26
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1USN
  • Download 1usn
  • View 1usn
Molmil generated image of 1usn
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Finzel, B.C., Bryant Junior, G.L., Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
2USN
  • Download 2usn
  • View 2usn
Molmil generated image of 2usn
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Finzel, B.C., Bryant Junior, G.L., Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
3RO5
  • Download 3ro5
  • View 3ro5
Molmil generated image of 3ro5
CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NUCLEOPROTEIN WITH LIGAND
Descriptor:Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C., Edavettal, S., McDonnell, P.A., Lewis, H.A., Steinbacher, S., Baldwin, E.T., Langley, D.R., Maskos, K., Mortl, M., Kiefersauer, R.
Deposit date:2011-04-25
Release date:2011-09-14
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
4DYA
  • Download 4dya
  • View 4dya
Molmil generated image of 4dya
CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-885986 LIGAND BOUND
Descriptor:Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-28
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:To be determined
To be Published
4DYB
  • Download 4dyb
  • View 4dyb
Molmil generated image of 4dyb
CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-883559 LIGAND BOUND
Descriptor:Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-28
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:To be determined
To be Published
4DYN
  • Download 4dyn
  • View 4dyn
Molmil generated image of 4dyn
CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-885838 LIGAND BOUND
Descriptor:Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:To be determined
To be Published
4DYP
  • Download 4dyp
  • View 4dyp
Molmil generated image of 4dyp
CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-831780 LIGAND BOUND
Descriptor:Nucleocapsid protein, [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:To be determined
To be Published
4DYS
  • Download 4dys
  • View 4dys
Molmil generated image of 4dys
CRYSTAL STRUCTURE OF APO SWINE FLU INFLUENZA NUCLEOPROTEIN
Descriptor:Nucleocapsid protein
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:To be determined
To be Published
4DYT
  • Download 4dyt
  • View 4dyt
Molmil generated image of 4dyt
CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH THREE MUTATIONS (E53D, Y289H, Y313V)
Descriptor:Nucleocapsid protein
Authors:Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:To be determined
To be Published
1HPX
  • Download 1hpx
  • View 1hpx
Molmil generated image of 1hpx
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272
Descriptor:HIV-1 PROTEASE, (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Authors:Bhat, T.N., Erickson, J.W.
Deposit date:1995-05-18
Release date:1996-03-08
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
3TG6
  • Download 3tg6
  • View 3tg6
Molmil generated image of 3tg6
CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NUCLEOPROTEIN WITH LIGAND
Descriptor:Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C., Lewis, H.A., McDonnell, P.A., Steinbacher, S., Kiefersauer, R., Mortl, M., Maskos, K., Edavettal, S., Baldwin, E.T., Langley, D.R.
Deposit date:2011-08-17
Release date:2012-08-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
<12>