1YU8
 
 | | Crystal Structure of the R37A Mutant of Villin Headpiece | | Descriptor: | Villin | | Authors: | Meng, J, Vardar, D, Wang, Y, Guo, H.C, Head, J.F, McKnight, C.J. | | Deposit date: | 2005-02-12 | | Release date: | 2005-09-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-resolution crystal structures of villin headpiece and mutants with reduced F-actin binding activity.
Biochemistry, 44, 2005
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2QDV
 | | Structure of the Cu(II) form of the M51A mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION, PHOSPHATE ION | | Authors: | Carrell, C.J, Ma, J.K, Wang, Y, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2007-06-21 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin.
Biochemistry, 46, 2007
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2QE4
 | | Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T. | | Deposit date: | 2007-06-22 | | Release date: | 2007-09-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring.
Bioorg.Med.Chem.Lett., 17, 2007
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2QDW
 | | Structure of Cu(I) form of the M51A mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (I) ION, PHOSPHATE ION | | Authors: | Ma, J.K, Wang, Y, Carrell, C.J, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2007-06-21 | | Release date: | 2007-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin.
Biochemistry, 46, 2007
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2QTU
 | | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | | Descriptor: | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta | | Authors: | Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H. | | Deposit date: | 2007-08-02 | | Release date: | 2007-10-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 17, 2007
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2P03
 | | The structure of receptor-associated protein(RAP) | | Descriptor: | Alpha-2-macroglobulin receptor-associated protein | | Authors: | Lee, D, Walsh, J.D, Migliorini, M, Yu, P, Cai, T, Schwieters, C.D, Krueger, S, Strickland, D.K, Wang, Y.X. | | Deposit date: | 2007-02-28 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of receptor-associated protein (RAP).
Protein Sci., 16, 2007
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2POG
 | | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | | Authors: | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | | Deposit date: | 2007-04-26 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
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2P4Q
 | | Crystal Structure Analysis of Gnd1 in Saccharomyces cerevisiae | | Descriptor: | 6-phosphogluconate dehydrogenase, decarboxylating 1, CITRATE ANION | | Authors: | He, W, Wang, Y, Liu, W, Zhou, C.Z. | | Deposit date: | 2007-03-12 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of Saccharomyces cerevisiae 6-phosphogluconate dehydrogenase Gnd1
Bmc Struct.Biol., 7, 2007
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4BT1
 | | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR | | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | | Deposit date: | 2013-06-12 | | Release date: | 2013-07-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BT0
 | | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR | | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | | Deposit date: | 2013-06-12 | | Release date: | 2013-07-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BS1
 | | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR (NTRC FAMILY) | | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | | Deposit date: | 2013-06-06 | | Release date: | 2013-07-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AUA
 | | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | | Deposit date: | 2012-05-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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2R9M
 | | Cathepsin S complexed with Compound 15 | | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
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2R9O
 | | Cathepsin S complexed with Compound 8 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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2R9N
 | | Cathepsin S complexed with Compound 26 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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1HYV
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM | | Descriptor: | CHLORIDE ION, INTEGRASE, SULFATE ION, ... | | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | Deposit date: | 2001-01-22 | | Release date: | 2001-04-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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1HYZ
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. | | Descriptor: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... | | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | Deposit date: | 2001-01-22 | | Release date: | 2001-04-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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5E6F
 | | Canarypox virus resolvase | | Descriptor: | CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION | | Authors: | Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2015-10-09 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
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6VRG
 | | Structure of HIV-1 integrase with native amino-terminal sequence | | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
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1NM3
 | | Crystal structure of Heamophilus influenza hybrid-Prx5 | | Descriptor: | Protein HI0572, SULFATE ION | | Authors: | Kim, S.J, Woo, J.R, Hwang, Y.S, Jeong, D.G, Shin, D.H, Kim, K.H, Ryu, S.E. | | Deposit date: | 2003-01-08 | | Release date: | 2003-03-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Tetrameric Structure of Haemophilus influenza Hybrid Prx5 Reveals Interactions between Electron Donor and Acceptor Proteins.
J.Biol.Chem., 278, 2003
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3IGC
 | | Smallpox virus topoisomerase-DNA transition state | | Descriptor: | 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ... | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2009-07-27 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
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2H7F
 | | Structure of variola topoisomerase covalently bound to DNA | | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1 | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2006-06-02 | | Release date: | 2006-08-15 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
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2H7G
 | | Structure of variola topoisomerase non-covalently bound to DNA | | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1 | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2006-06-02 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
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