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1XJD
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BU of 1xjd by Molmil
Crystal Structure of PKC-theta complexed with Staurosporine at 2A resolution
Descriptor: Protein kinase C, theta type, STAUROSPORINE
Authors:Xu, Z.B.
Deposit date:2004-09-23
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic domain crystal structure of protein kinase C-theta (PKCtheta)
J.Biol.Chem., 279, 2004
3KXZ
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BU of 3kxz by Molmil
The complex crystal structure of LCK with a probe molecule w259
Descriptor: 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide, CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Xu, Z.B, Moy, F.J, Kelleher, K, Mosyak, L, Protein Structure Factory (PSF)
Deposit date:2009-12-04
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.
J.Med.Chem., 53, 2010
1S1G
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BU of 1s1g by Molmil
Crystal Structure of Kv4.3 T1 Domain
Descriptor: Potassium voltage-gated channel subfamily D member 3, ZINC ION
Authors:Scannevin, R.H, Wang, K.W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.X, Xu, Z.B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J.
Deposit date:2004-01-06
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1.
Neuron, 41, 2004
2NV7
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BU of 2nv7 by Molmil
Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
Descriptor: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-08-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
1YY4
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BU of 1yy4 by Molmil
Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
Descriptor: 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2005-02-23
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
1YYE
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BU of 1yye by Molmil
Crystal structure of estrogen receptor beta complexed with way-202196
Descriptor: 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2005-02-24
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
1DCL
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BU of 1dcl by Molmil
MCG, A LAMBDA V TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN), CRYSTALLIZED FROM AMMONIUM SULFATE
Descriptor: MCG
Authors:Schiffer, M, Xu, Z.B.
Deposit date:1995-10-16
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of a light chain dimer crystallized in water. Conformational flexibility of a molecule in two crystal forms.
J.Mol.Biol., 210, 1989
1ZAF
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BU of 1zaf by Molmil
Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one
Descriptor: 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A.
Deposit date:2005-04-06
Release date:2006-04-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones
Bioorg.Med.Chem.Lett., 15, 2005
1ZTQ
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BU of 1ztq by Molmil
Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033
Descriptor: CALCIUM ION, Collagenase 3, N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE, ...
Authors:Wu, J, Rush III, T.S, Hotchandani, R, Du, X, Geck, M, Collins, E, Xu, Z.B, Skotnicki, J, Levin, J.I, Lovering, F.
Deposit date:2005-05-27
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of potent and selective MMP-13 inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1U3Q
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BU of 1u3q by Molmil
Crystal Structure of Estrogen Receptor beta complexed with CL-272
Descriptor: 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor beta
Authors:Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1U3R
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BU of 1u3r by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-338
Descriptor: 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
Authors:Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1U9E
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BU of 1u9e by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397
Descriptor: 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-09
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1U3S
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BU of 1u3s by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-797
Descriptor: 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
Authors:Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1X7J
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BU of 1x7j by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN
Descriptor: Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1
Authors:Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S.
Deposit date:2004-08-14
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods
Structure, 12, 2004
1X7R
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BU of 1x7r by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH GENISTEIN
Descriptor: Estrogen receptor 1 (alpha), GENISTEIN, steroid receptor coactivator-3
Authors:Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S.
Deposit date:2004-08-16
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods
Structure, 12, 2004
1X78
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BU of 1x78 by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244
Descriptor: Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1X7B
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BU of 1x7b by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041
Descriptor: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1X76
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BU of 1x76 by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-697
Descriptor: 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1X7E
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BU of 1x7e by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244
Descriptor: Estrogen receptor 1 (alpha), [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE, steroid receptor coactivator-3
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004

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