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2AUX
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BU of 2aux by Molmil
Cathepsin K complexed with a semicarbazone inhibitor
Descriptor: (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K
Authors:Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
2AUZ
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BU of 2auz by Molmil
Cathepsin K complexed with a semicarbazone inhibitor
Descriptor: 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION
Authors:Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
1Q6K
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BU of 1q6k by Molmil
Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate
Descriptor: Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Authors:Catalano, J.G, Deaton, D.N, Furfine, E.S, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Willard, D.H, Wright, L.L.
Deposit date:2003-08-13
Release date:2004-03-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1SNK
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BU of 1snk by Molmil
Cathepsin K complexed with carbamate derivatized norleucine aldehyde
Descriptor: Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION
Authors:Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L.
Deposit date:2004-03-11
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1TU6
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BU of 1tu6 by Molmil
Cathepsin K complexed with a ketoamide inhibitor
Descriptor: Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Authors:Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L.
Deposit date:2004-06-24
Release date:2004-09-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
1YK8
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BU of 1yk8 by Molmil
Cathepsin K complexed with a cyanamide-based inhibitor
Descriptor: Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
Authors:Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L.
Deposit date:2005-01-17
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Acyclic cyanamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
1YK7
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BU of 1yk7 by Molmil
Cathepsin K complexed with a cyanopyrrolidine inhibitor
Descriptor: Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
Authors:Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Tavares, F.X, Willard, D.H, Wright, L.L.
Deposit date:2005-01-17
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel and potent cyclic cyanamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
1YT7
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BU of 1yt7 by Molmil
Cathepsin K complexed with a constrained ketoamide inhibitor
Descriptor: (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION
Authors:Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q.
Deposit date:2005-02-10
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
2BDL
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BU of 2bdl by Molmil
Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor
Descriptor: (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K
Authors:Shewchuk, L.M.
Deposit date:2005-10-20
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
1BLB
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BU of 1blb by Molmil
CLOSE PACKING OF AN OLIGOMERIC EYE LENS BETA-CRYSTALLIN INDUCES LOSS OF SYMMETRY AND ORDERING OF SEQUENCE EXTENSIONS
Descriptor: BETA B2-CRYSTALLIN
Authors:Nalini, V, Bax, B, Driessen, H, Moss, D.S, Lindley, P.F, Slingsby, C.
Deposit date:1993-12-22
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Close packing of an oligomeric eye lens beta-crystallin induces loss of symmetry and ordering of sequence extensions.
J.Mol.Biol., 236, 1994
1A45
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BU of 1a45 by Molmil
GAMMAF CRYSTALLIN FROM BOVINE LENS
Descriptor: GAMMAF CRYSTALLIN
Authors:Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, White, H.E, Moss, D.S, Lindley, P.F, Driessen, H.P.C.
Deposit date:1998-02-10
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD.
Exp.Eye Res., 65, 1997

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