Author results

1PPA
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THE CRYSTAL STRUCTURE OF A LYSINE 49 PHOSPHOLIPASE A2 FROM THE VENOM OF THE COTTONMOUTH SNAKE AT 2.0 ANGSTROMS RESOLUTION
Descriptor:PHOSPHOLIPASE A2, ANILINE
Authors:Holland, D.R., Clancy, L.L., Muchmore, S.W., Rydel, T.J., Einspahr, H.M., Finzel, B.C., Heinrikson, R.L., Watenpaugh, K.D.
Deposit date:1991-10-29
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution.
J.Biol.Chem., 265, 1990
8HVP
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STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR
Descriptor:HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)
Authors:Jaskolski, M., Miller, M., Tomasselli, A.G., Sawyer, T.K., Staples, D.G., Heinrikson, R.L., Schneider, J., Kent, S.B.H., Wlodawer, A.
Deposit date:1990-10-26
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
1BHO
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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
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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
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MAC-1 I DOMAIN METAL FREE
Descriptor:CD11B
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
1HIV
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CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING
Descriptor:HIV-1 PROTEASE, 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium
Authors:Thanki, N., Wlodawer, A.
Deposit date:1992-02-12
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling.
Protein Sci., 1, 1992
1I1B
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-1BETA AT 2.0 ANGSTROMS RESOLUTION
Descriptor:INTERLEUKIN-1 BETA
Authors:Finzel, B.C., Watenpaugh, K.D., Einspahr, H.M.
Deposit date:1989-12-05
Release date:1990-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution.
J.Mol.Biol., 209, 1989
1IVP
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THE CRYSTALLOGRAPHIC STRUCTURE OF THE PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 WITH TWO SYNTHETIC PEPTIDIC TRANSITION STATE ANALOG INHIBITORS
Descriptor:HIV-2 PROTEASE, 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium
Authors:Mulichak, A.M., Watenpaugh, K.D.
Deposit date:1993-03-18
Release date:1993-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystallographic structure of the protease from human immunodeficiency virus type 2 with two synthetic peptidic transition state analog inhibitors.
J.Biol.Chem., 268, 1993
1IVQ
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THE CRYSTALLOGRAPHIC STRUCTURE OF THE PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 WITH TWO SYNTHETIC PEPTIDIC TRANSITION STATE ANALOG INHIBITORS
Descriptor:HIV-2 PROTEASE, N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide
Authors:Mulichak, A.M., Watenpaugh, K.D.
Deposit date:1993-03-18
Release date:1993-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystallographic structure of the protease from human immunodeficiency virus type 2 with two synthetic peptidic transition state analog inhibitors.
J.Biol.Chem., 268, 1993
1QTN
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TETRAPEPTIDE INHIBITOR ACE-IETD-ALDEHYDE
Descriptor:CASPASE-8, ACETYL-ILE-GLU-THR-ASP-ALDEHYDE, DITHIANE DIOL
Authors:Watt, W., Watenpaugh, K.D.
Deposit date:1999-06-28
Release date:2000-09-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The atomic-resolution structure of human caspase-8, a key activator of apoptosis.
Structure Fold.Des., 7, 1999
3KJF
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CASPASE 3 BOUND TO A COVALENT INHIBITOR
Descriptor:Caspase-3, (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3KJN
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CASPASE 8 BOUND TO A COVALENT INHIBITOR
Descriptor:Caspase-8, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3KJQ
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CASPASE 8 WITH COVALENT INHIBITOR
Descriptor:Caspase-8, (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
1F9E
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CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
Descriptor:CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN, (PHQ)DEVD
Authors:Blanchard, H., Donepudi, M., Tschopp, M., Kodandapani, L., Wu, J.C., Grutter, M.G.
Deposit date:2000-07-10
Release date:2001-07-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
1GNM
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HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR)
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Treharne, A., Hartsuck, J.A., Foundling, S., Tang, J.
Deposit date:1996-05-04
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1GNN
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HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR)
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Treharne, A., Hartsuck, J.A., Foundling, S., Tang, J.
Deposit date:1996-05-04
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1GNO
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HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR)
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Treharne, A., Hartsuck, J.A., Foundling, S., Tang, J.
Deposit date:1996-05-04
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1PYP
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X-RAY DIFFRACTION STUDY OF INORGANIC PYROPHOSPHATASE FROM BAKER,S YEAST AT THE 3 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor:INORGANIC PYROPHOSPHATASE
Authors:Harutyunyan, E.H., Terzyan, S.S., Vainshtein, B.K.
Deposit date:1983-02-03
Release date:1983-10-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Diffraction Study of Inorganic Pyrophosphatase from Baker,S Yeast at the 3 Angstroms Resolution (Russian)
Dokl.Akad.Nauk Sssr, 258, 1981
1VIB
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NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES
Descriptor:NEUROTOXIN B-IV
Authors:Barnham, K.J., Dyke, T.R., Kem, W.R., Norton, R.S.
Deposit date:1996-11-25
Release date:1997-05-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure of neurotoxin B-IV from the marine worm Cerebratulus lacteus: a helical hairpin cross-linked by disulphide bonding.
J.Mol.Biol., 268, 1997
2HPE
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COMPARISON OF THE STRUCTURES OF HIV-2 PROTEASE COMPLEXES IN THREE CRYSTAL SPACE GROUPS WITH AN HIV-1 PROTEASE COMPLEX STRUCTURE
Descriptor:HIV-2 PROTEASE, UNIDENTIFIED PEPTIDE FRAGMENT
Authors:Mulichak, A.M., Watenpaugh, K.D.
Deposit date:1994-09-21
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of the Structures of HIV-2 Protease Complexes in Three Crystal Space Groups with an HIV-1 Protease Complex Structure
To be Published
2HPF
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COMPARISON OF THE STRUCTURES OF HIV-2 PROTEASE COMPLEXES IN THREE CRYSTAL SPACE GROUPS WITH AN HIV-1 PROTEASE COMPLEX STRUCTURE
Descriptor:HIV-2 PROTEASE, UNIDENTIFIED PEPTIDE FRAGMENT
Authors:Mulichak, A.M., Watenpaugh, K.D.
Deposit date:1994-09-21
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comparison of the Structures of HIV-2 Protease Complexes in Three Crystal Space Groups with an HIV-1 Protease Complex Structure
To be Published
2IRT
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INITIAL CRYSTALLOGRAPHIC ANALYSES OF A RECOMBINANT INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN
Descriptor:INTERLEUKIN-1 RECEPTOR ANTAGONIST
Authors:Finzel, B.C., Clancy, L.L., Einspahr, H.M.
Deposit date:1994-07-13
Release date:1994-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Initial crystallographic analysis of a recombinant human interleukin-1 receptor antagonist protein.
Acta Crystallogr.,Sect.D, 50, 1994
2ORA
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RHODANESE (THIOSULFATE: CYANIDE SULFURTRANSFERASE)
Descriptor:OXIDIZED RHODANESE
Authors:Gliubich, F., Gazerro, M., Zanotti, G., Delbono, S., Berni, R.
Deposit date:1996-02-22
Release date:1996-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Active site structural features for chemically modified forms of rhodanese.
J.Biol.Chem., 271, 1996
3UDH
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CRYSTAL STRUCTURE OF BACE WITH COMPOUND 1
Descriptor:Beta-secretase 1, (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, ...
Authors:Efremov, I.V., Vajdos, F.F., Borzilleri, K., Capetta, S., Dorff, P., Dutra, J., Mansour, M., Oborski, C., O'Connell, T., O'Sullivan, T.J., Pandit, J., Wang, H., Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDJ
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CRYSTAL STRUCTURE OF BACE WITH COMPOUND 5
Descriptor:Beta-secretase 1, methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, ...
Authors:Efremov, I.V., Vajdos, F.F., Borzilleri, K., Capetta, S., Dorff, P., Dutra, J., Mansour, M., Oborski, C., O'Connell, T., O'Sullivan, T.J., Pandit, J., Wang, H., Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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