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1B8Y
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BU of 1b8y by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY
Descriptor: CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-03
Release date:1999-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
4R41
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BU of 4r41 by Molmil
Complex Crystal structure of 4-nitro-2-phosphono-benzoic acid with sp-Aspartate-Semialdehyde Dehydrogenase and Nicotinamide-dinucleotide
Descriptor: 1,2-ETHANEDIOL, 4-nitro-2-phosphonobenzoic acid, ACETATE ION, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-18
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R4J
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BU of 4r4j by Molmil
Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate
Descriptor: 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-19
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R51
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BU of 4r51 by Molmil
Crystal complex structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide Adenine dinucleotide phosphate and phthalic acid
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-20
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R3N
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BU of 4r3n by Molmil
Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-16
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R5H
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BU of 4r5h by Molmil
Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid
Descriptor: 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-21
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R3W
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BU of 4r3w by Molmil
Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-2'-5'-DIPHOSPHATE, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-18
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R5M
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BU of 4r5m by Molmil
Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid
Descriptor: 4-nitro-2-phosphonobenzoic acid, Aspartate-semialdehyde dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-21
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R54
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BU of 4r54 by Molmil
Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
Descriptor: 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-20
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
1CAQ
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BU of 1caq by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
Descriptor: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-23
Release date:1999-07-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1CIZ
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BU of 1ciz by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
Descriptor: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-04-06
Release date:1999-09-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
3Q0E
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BU of 3q0e by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Vibrio Cholerae with product of S-allyl-L-cysteine sulfoxide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Liu, X, Viola, R.E.
Deposit date:2010-12-15
Release date:2012-02-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of inhibitors with selectivity against members of a homologous enzyme family.
Chem.Biol.Drug Des., 79, 2012
3Q1L
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BU of 3q1l by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with cysteamine bound covalently to Cys 128
Descriptor: 2-AMINO-ETHANETHIOL, Aspartate beta-semialdehyde dehydrogenase
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-17
Release date:2012-01-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PZR
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BU of 3pzr by Molmil
Crystals structure of aspartate beta-Semialdehyde dehydrogenase from Vibrio Cholerae with NADP and product of S-carbamoyl-L-cysteine
Descriptor: Aspartate-semialdehyde dehydrogenase, CYSTEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pavlovsky, A.G, Potente, N, Viola, R.E.
Deposit date:2010-12-14
Release date:2012-01-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3Q11
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BU of 3q11 by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with NADP and aspartyl beta-difluorophosphonate
Descriptor: 1,2-ETHANEDIOL, 5,5-difluoro-4-oxo-5-phosphono-D-norvaline, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E, Faehnle, C.R.
Deposit date:2010-12-16
Release date:2012-01-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PWK
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BU of 3pwk by Molmil
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
Descriptor: 1,2-ETHANEDIOL, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-08
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PYL
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BU of 3pyl by Molmil
Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate
Descriptor: 3-amino-D-alanine, Aspartate-semialdehyde dehydrogenase
Authors:Pavlovsky, A.G, Liu, X, Faehnle, C.R, Potente, N, Viola, R.E.
Deposit date:2010-12-13
Release date:2012-01-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PZB
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BU of 3pzb by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and D-2,3-Diaminopropionate
Descriptor: 1,2-ETHANEDIOL, 3-amino-D-alanine, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-14
Release date:2012-01-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PWS
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BU of 3pws by Molmil
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
Descriptor: (2R)-2-aminohexanedioic acid, ADENOSINE-2'-5'-DIPHOSPHATE, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-08
Release date:2012-01-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PYX
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BU of 3pyx by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and 2-aminoterephthalate
Descriptor: 1,2-ETHANEDIOL, 2-aminobenzene-1,4-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-13
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
2OW9
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BU of 2ow9 by Molmil
Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor
Descriptor: ACETOHYDROXAMIC ACID, BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE, CALCIUM ION, ...
Authors:Pavlovsky, A.G.
Deposit date:2007-02-15
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
1QIC
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BU of 1qic by Molmil
CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN
Descriptor: CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION
Authors:Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V.
Deposit date:1999-06-11
Release date:2003-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
1QIA
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BU of 1qia by Molmil
CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN
Descriptor: CALCIUM ION, STROMELYSIN-1, ZINC ION
Authors:Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V.
Deposit date:1999-06-11
Release date:2003-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
1GOY
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BU of 1goy by Molmil
HYDROLASE(ENDORIBONUCLEASE)RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) (E.C.3.1.27.-) COMPLEXED WITH GUANOSINE-3'-PHOSPHATE (3'-GMP)
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE, SULFATE ION
Authors:Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G.
Deposit date:2001-10-26
Release date:2001-11-29
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions
Acta Crystallogr.,Sect.D, 58, 2002
1GOV
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BU of 1gov by Molmil
RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) COMPLEXED WITH SULFATE IONS
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G.
Deposit date:2001-10-26
Release date:2001-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions
Acta Crystallogr.,Sect.D, 58, 2002

 

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