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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
1QIB
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BU of 1qib by Molmil
CRYSTAL STRUCTURE OF GELATINASE A CATALYTIC DOMAIN
Descriptor: 72 kDa type IV collagenase, CALCIUM ION, ZINC ION
Authors:Dhanaraj, V, Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A, Rubin, J.R, Skeean, R.W, White, A.D, Humblet, C, Hupe, D.J, Blundell, T.L.
Deposit date:1999-06-11
Release date:1999-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structure of gelatinase A catalytic domain complexed with a hydroxamate inhibitor
Croatica Chemica Acta, 72, 1999
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
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
1BKL
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BU of 1bkl by Molmil
SELF-ASSOCIATED APO SRC SH2 DOMAIN
Descriptor: PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN
Authors:Holland, D.R, Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Pp60Src Sh2 Domain Crystal Structures: A 2.0 Angstrom Co-Crystal Structure of a D-Amino Acid Substituted Phosphopeptide Complex and a 2.1 Angstrom Apo Structure Displaying Self-Association
To be Published
6MNH
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BU of 6mnh by Molmil
ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ...
Authors:Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D.
Deposit date:2018-10-01
Release date:2019-03-27
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
1BAK
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BU of 1bak by Molmil
SIGNAL TRANSDUCTION PLECKSTRIN HOMOLOGY DOMAIN OF G-PROTEIN COUPLED RECEPTOR KINASE 2 (BETA-ADRENERGIC RECEPTOR KINASE 1), C-TERMINAL EXTENDED, NMR, 20 STRUCTURES
Descriptor: G-PROTEIN COUPLED RECEPTOR KINASE 2
Authors:Fushman, D, Cowburn, D.
Deposit date:1997-11-21
Release date:1998-02-25
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The solution structure and dynamics of the pleckstrin homology domain of G protein-coupled receptor kinase 2 (beta-adrenergic receptor kinase 1). A binding partner of Gbetagamma subunits.
J.Biol.Chem., 273, 1998
1ZVX
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BU of 1zvx by Molmil
Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer)
Descriptor: (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F.
Deposit date:2005-06-03
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
1ZS0
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BU of 1zs0 by Molmil
Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer)
Descriptor: (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F.
Deposit date:2005-05-23
Release date:2006-05-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
1EED
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BU of 1eed by Molmil
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors
Descriptor: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN
Authors:Blundell, T.L, Frazao, C, Cooper, J.B.
Deposit date:1992-06-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
1BKM
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BU of 1bkm by Molmil
COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Descriptor: PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE
Authors:Holland, D.R, Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-07
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
J.Am.Chem.Soc., 119, 1997

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