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PDB: 20 results

1YT7
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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:2024-11-13
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
1YK8
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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:2024-11-06
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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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:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel and potent cyclic cyanamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
2AUZ
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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:2024-10-30
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
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:2024-10-30
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
3DT3
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BU of 3dt3 by Molmil
Human Estrogen receptor alpha LBD with GW368
Descriptor: 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol, Estrogen receptor
Authors:Williams, S.P, Miller, A.B.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.
Bioorg.Med.Chem.Lett., 18, 2008
1FM6
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THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES.
Descriptor: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E.
Deposit date:2000-08-16
Release date:2001-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
1FM9
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THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND GI262570 AND CO-ACTIVATOR PEPTIDES.
Descriptor: (9cis)-retinoic acid, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA, ...
Authors:Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E.
Deposit date:2000-08-16
Release date:2001-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
3DDU
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BU of 3ddu by Molmil
Prolyl Oligopeptidase with GSK552
Descriptor: (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one, ACETATE ION, GLYCEROL, ...
Authors:Madauss, K.P, Reid, R.A, Haffner, C.D, Miller, A.B.
Deposit date:2008-06-06
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Pyrrolidinyl pyridone and pyrazinone analogues as potent inhibitors of prolyl oligopeptidase (POP)
Bioorg.Med.Chem.Lett., 18, 2008
2GPP
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Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716
Descriptor: 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2GPO
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Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140
Descriptor: Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2GPU
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BU of 2gpu by Molmil
Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-Miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2GP7
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Estrogen Related Receptor-gamma ligand binding domain
Descriptor: CALCIUM ION, Estrogen-related receptor gamma
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-17
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2GPV
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BU of 2gpv by Molmil
Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
1LV2
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Hepatocyte Nuclear Factor 4 is a Transcription Factor that Constitutively Binds Fatty Acids
Descriptor: Hepatocyte nuclear factor 4-gamma, PALMITIC ACID
Authors:Wisely, B, Miller, A.B, Davis, R.G, Spitzer, T, Shearer, B, Moore, J.T, Johnson, R, Sefler, A, Willson, T.M, Williams, S.P.
Deposit date:2002-05-24
Release date:2002-12-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hepatocyte Nuclear Factor 4 Is a Transcription Factor that Constitutively Binds Fatty Acids.
Structure, 10, 2002
1TU6
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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:2024-11-20
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
1SNK
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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:2024-10-30
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
1RDT
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Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer
Descriptor: (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, LxxLL motif coactivator, ...
Authors:Haffner, C.D, Lenhard, J.M, Miller, A.B, McDougald, D.L, Dwornik, K, Ittoop, O.R, Gampe Jr, R.T, Xu, H.E, Blanchard, S, Montana, V.G.
Deposit date:2003-11-06
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of potent retinoid X receptor alpha agonists.
J.Med.Chem., 47, 2004
1Q6K
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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:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1P8D
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X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3
Authors:Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M.
Deposit date:2003-05-06
Release date:2003-07-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003

227561

数据于2024-11-20公开中

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