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6CSD
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BU of 6csd by Molmil
V308E mutant of cytochrome P450 2D6 complexed with prinomastat
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
Deposit date:2018-03-20
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
6CSB
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BU of 6csb by Molmil
V308E mutant of cytochrome P450 2D6 complexed with thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ...
Authors:Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
Deposit date:2018-03-20
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
1MJN
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BU of 1mjn by Molmil
Crystal Structure of the intermediate affinity aL I domain mutant
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors:Shimaoka, M, Xiao, T, Liu, J.H, Yang, Y.T, Dong, Y.C, Jun, C.D, McCormack, A, Zhang, R.G, Wang, J.H, Springer, T.A.
Deposit date:2002-08-28
Release date:2003-01-28
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the alphaL I Domain and its Complex with ICAM-1 reveal a Shape-shifting Pathway for Integrin Regulation
Cell(Cambridge,Mass.), 112, 2003
1NPE
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BU of 1npe by Molmil
Crystal structure of Nidogen/Laminin Complex
Descriptor: CADMIUM ION, Laminin gamma-1 chain, nidogen
Authors:Takagi, J, Yang, Y.T, Liu, J.-H, Wang, J.-H, Springer, T.A.
Deposit date:2003-01-17
Release date:2003-08-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex between nidogen and laminin fragments reveals a paradigmatic beta-propeller interface
Nature, 424, 2003
1SJ0
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BU of 1sj0 by Molmil
Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
Descriptor: (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor
Authors:Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L.
Deposit date:2004-03-02
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
3DBQ
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BU of 3dbq by Molmil
Crystal structure of TTK kinase domain
Descriptor: Dual specificity protein kinase TTK
Authors:Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D.
Deposit date:2008-06-02
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Mechanistic Insights into Mps1 Kinase Activation
J.CELL.MOL.MED., 13, 2008
6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
Authors:Yang, Y.T, Waskell, L.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018
3X0T
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BU of 3x0t by Molmil
Crystal structure of PirA
Descriptor: NITRATE ION, Uncharacterized protein
Authors:Wang, H.C, Ko, T.P, Wang, A.H.J, Lo, C.F.
Deposit date:2014-10-22
Release date:2015-08-26
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:The opportunistic marine pathogen Vibrio parahaemolyticus becomes virulent by acquiring a plasmid that expresses a deadly toxin.
Proc.Natl.Acad.Sci.USA, 112, 2015
3X0U
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BU of 3x0u by Molmil
Crystal structure of PirB
Descriptor: Uncharacterized protein
Authors:Wang, H.C, Ko, T.P, Wang, A.H.J, Lo, C.F.
Deposit date:2014-10-22
Release date:2015-08-26
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The opportunistic marine pathogen Vibrio parahaemolyticus becomes virulent by acquiring a plasmid that expresses a deadly toxin.
Proc.Natl.Acad.Sci.USA, 112, 2015
3L82
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BU of 3l82 by Molmil
X-ray Crystal structure of TRF1 and Fbx4 complex
Descriptor: F-box only protein 4, Telomeric repeat-binding factor 1
Authors:Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M.
Deposit date:2009-12-29
Release date:2010-03-09
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
1XP1
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BU of 1xp1 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
Descriptor: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-07
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XPC
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BU of 1xpc by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19
Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP9
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BU of 1xp9 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP6
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BU of 1xp6 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
Descriptor: (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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BU of 1yim by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 4
Descriptor: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIN
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BU of 1yin by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
Descriptor: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1T0P
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BU of 1t0p by Molmil
Structural Basis of ICAM recognition by integrin alpahLbeta2 revealed in the complex structure of binding domains of ICAM-3 and alphaLbeta2 at 1.65 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-L, Intercellular adhesion molecule-3, ...
Authors:Song, G, Yang, Y.T, Liu, J.H, Shimaoko, M, Springer, T.A, Wang, J.H.
Deposit date:2004-04-12
Release date:2005-03-08
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:An atomic resolution view of ICAM recognition in a complex between the binding domains of ICAM-3 and integrin alphaLbeta2.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3K6G
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BU of 3k6g by Molmil
Crystal structure of Rap1 and TRF2 complex
Descriptor: Telomeric repeat-binding factor 2, Telomeric repeat-binding factor 2-interacting protein 1
Authors:Chen, Y, Rai, R, Yang, Y.T, Zheng, H, Chang, S, Lei, M.
Deposit date:2009-10-08
Release date:2010-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
3KF6
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BU of 3kf6 by Molmil
Crystal structure of S. pombe Stn1-ten1 complex
Descriptor: Protein stn1, Protein ten1
Authors:Sun, J, Yu, E.Y, Yang, Y.T, Confer, L.A, Sun, S.H, Wan, K, Lue, N.F, Lei, M.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stn1-Ten1 is an Rpa2-Rpa3-like complex at telomeres.
Genes Dev., 23, 2009
3KEY
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BU of 3key by Molmil
Crystal structure of S. cerevisiae Stn1 C-terminal
Descriptor: Protein STN1
Authors:Sun, J, Yu, E.Y, Yang, Y.T, Confer, L.A, Sun, S.H, Wan, K, Lue, N.F, Lei, M.
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Stn1-Ten1 is an Rpa2-Rpa3-like complex at telomeres.
Genes Dev., 23, 2009
3KF8
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BU of 3kf8 by Molmil
Crystal structure of C. tropicalis Stn1-ten1 complex
Descriptor: Protein stn1, Protein ten1
Authors:Sun, J, Yu, E.Y, Yang, Y.T, Confer, L.A, Sun, S.H, Wan, K, Lue, N.F, Lei, M.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Stn1-Ten1 is an Rpa2-Rpa3-like complex at telomeres.
Genes Dev., 23, 2009
2IOG
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BU of 2iog by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2IOK
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BU of 2iok by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 1D
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I46
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BU of 2i46 by Molmil
Crystal structure of human TPP1
Descriptor: Adrenocortical dysplasia protein homolog
Authors:Wang, F, Podell, E.R, Zaug, A.J, Yang, Y.T, Baciu, P, Else, T, Hammer, G.D, Cech, T.R, Lei, M.
Deposit date:2006-08-21
Release date:2006-11-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The POT1-TPP1 telomere complex is a telomerase processivity factor.
Nature, 445, 2007

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