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1MMP
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BU of 1mmp by Molmil
MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR
Descriptor: 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ...
Authors:Browner, M.F, Smith, W.W, Castelhano, A.L.
Deposit date:1995-03-22
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1MMR
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BU of 1mmr by Molmil
MATRILYSIN COMPLEXED WITH SULFODIIMINE INHIBITOR
Descriptor: 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE, CALCIUM ION, MATRILYSIN, ...
Authors:Browner, M.F, Smith, W.W, Castelhano, A.L.
Deposit date:1995-03-22
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1MMQ
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BU of 1mmq by Molmil
MATRILYSIN COMPLEXED WITH HYDROXAMATE INHIBITOR
Descriptor: CALCIUM ION, MATRILYSIN, N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE, ...
Authors:Browner, M.F, Smith, W.W, Castelhano, A.L.
Deposit date:1995-03-22
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
966C
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BU of 966c by Molmil
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
Descriptor: CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-07
Release date:1999-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
830C
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BU of 830c by Molmil
COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID
Descriptor: 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-06
Release date:1999-08-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
456C
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BU of 456c by Molmil
CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
Descriptor: 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-06
Release date:1999-08-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
1LOX
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BU of 1lox by Molmil
RABBIT RETICULOCYTE 15-LIPOXYGENASE
Descriptor: (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, 15-LIPOXYGENASE, FE (II) ION
Authors:Gillmor, S.A, Villasenor, A, Fletterick, R.J, Sigal, E, Browner, M.F.
Deposit date:1997-10-06
Release date:1998-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of mammalian 15-lipoxygenase reveals similarity to the lipases and the determinants of substrate specificity.
Nat.Struct.Biol., 4, 1997
2OIB
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BU of 2oib by Molmil
Crystal structure of IRAK4 kinase domain apo form
Descriptor: Interleukin-1 receptor-associated kinase 4
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OIC
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BU of 2oic by Molmil
Crystal structure of IRAK4 kinase domain complexed with staurosporine
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OID
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BU of 2oid by Molmil
Crystal structure of IRAK4 kinase domain complexed with AMPPNP
Descriptor: Interleukin-1 receptor-associated kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2GFS
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BU of 2gfs by Molmil
P38 Kinase Crystal Structure in complex with RO3201195
Descriptor: Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Harris, S.F, Bertrand, J, Villasenor, A.
Deposit date:2006-03-23
Release date:2006-04-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
2GIR
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BU of 2gir by Molmil
Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor
Descriptor: 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase
Authors:Harris, S.F.
Deposit date:2006-03-29
Release date:2007-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
2GIQ
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BU of 2giq by Molmil
Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor
Descriptor: 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase
Authors:Harris, S.F.
Deposit date:2006-03-29
Release date:2007-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
3FQE
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BU of 3fqe by Molmil
Crystal structure of spleen tyrosine kinase complexed with YM193306
Descriptor: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.
Chem.Biol.Drug Des., 73, 2009
3FQH
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BU of 3fqh by Molmil
Crystal structure of spleen tyrosine kinase complexed with a 2-substituted 7-azaindole
Descriptor: N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.
Chem.Biol.Drug Des., 73, 2009
3FQS
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BU of 3fqs by Molmil
Crystal structure of spleen tyrosine kinase complexed with R406
Descriptor: 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.
Chem.Biol.Drug Des., 73, 2009
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
3CJ5
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BU of 3cj5 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide, RNA-directed RNA polymerase
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ0
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BU of 3cj0 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
Descriptor: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CIZ
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BU of 3ciz by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
Descriptor: 2-amino-5-bromobenzoic acid, RNA-directed RNA polymerase, ZINC ION
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ3
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BU of 3cj3 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ2
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BU of 3cj2 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008

 

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