1M9U
 
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5XB0
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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1SJ0
 | | 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
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4M6A
 | | N-Terminal beta-Strand Swapping in a Consensus Derived Alternative Scaffold Driven by Stabilizing Hydrophobic Interactions | | Descriptor: | Tencon | | Authors: | Luo, J, Teplyakov, A, Obmolova, G, Malia, T.J, Chan, W, Jocobs, S.A, O'neil, K.T, Gilliland, G.L. | | Deposit date: | 2013-08-09 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | N-terminal beta-strand swapping in a consensus-derived alternative scaffold driven by stabilizing hydrophobic interactions.
Proteins, 82, 2014
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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5HU2
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5HTV
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5HTN
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5HTJ
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5HV7
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5HTX
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5HTP
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5HTY
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5HTR
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5HUX
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3JYN
 | | Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase complexed with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase | | Authors: | Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W. | | Deposit date: | 2009-09-22 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
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3JB6
 | | In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase, VP1 CSP, ... | | Authors: | Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-08-02 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
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3JYL
 | | Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase | | Descriptor: | Quinone oxidoreductase | | Authors: | Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W. | | Deposit date: | 2009-09-22 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
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3JB7
 | | In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus | | Descriptor: | CPV RNA-dependent RNA polymerase, CYTIDINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-08-03 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
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4RI2
 | | Crystal structure of the photoprotective protein PsbS from spinach | | Descriptor: | CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | Authors: | Fan, M, Li, M, Chang, W. | | Deposit date: | 2014-10-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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4RI3
 | | Crystal structure of DCCD-modified PsbS from spinach | | Descriptor: | DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | Authors: | Fan, M, Li, M, Chang, W. | | Deposit date: | 2014-10-05 | | Release date: | 2015-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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4RTH
 | | The crystal structure of PsbP from Zea mays | | Descriptor: | Membrane-extrinsic protein of photosystem II PsbP | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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4RTI
 | | The crystal structure of PsbP from Spinacia oleracea | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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