1M9U
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8INI
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![BU of 8ini by Molmil](/molmil-images/mine/8ini) | vaccinia H2 protein without the transmembrane region | Descriptor: | TETRAETHYLENE GLYCOL, vaccinia h2 protein | Authors: | Liu, C.Y, Ko, T.P, Wang, H.C, Chang, W. | Deposit date: | 2023-03-10 | Release date: | 2023-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and functional analyses of viral H2 protein of the vaccinia virus entry fusion complex. J.Virol., 97, 2023
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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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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/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
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![BU of 1sj0 by Molmil](/molmil-images/mine/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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4I5M
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![BU of 4i5m by Molmil](/molmil-images/mine/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
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![BU of 4i11 by Molmil](/molmil-images/mine/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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4M6A
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![BU of 4m6a by Molmil](/molmil-images/mine/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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1HTV
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4RI2
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![BU of 4ri2 by Molmil](/molmil-images/mine/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
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![BU of 4ri3 by Molmil](/molmil-images/mine/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
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![BU of 4rth by Molmil](/molmil-images/mine/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
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![BU of 4rti by Molmil](/molmil-images/mine/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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3JB7
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![BU of 3jb7 by Molmil](/molmil-images/mine/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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3JB6
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![BU of 3jb6 by Molmil](/molmil-images/mine/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
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![BU of 3jyl by Molmil](/molmil-images/mine/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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3JYN
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![BU of 3jyn by Molmil](/molmil-images/mine/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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1Z29
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![BU of 1z29 by Molmil](/molmil-images/mine/1z29) | Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF) | Descriptor: | ACETIC ACID, ADENOSINE-3'-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W. | Deposit date: | 2005-03-07 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2. Biochem.Biophys.Res.Commun., 396, 2010
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1Z28
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![BU of 1z28 by Molmil](/molmil-images/mine/1z28) | Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF) | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Phenol-sulfating phenol sulfotransferase 1 | Authors: | Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W. | Deposit date: | 2005-03-07 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2. Biochem.Biophys.Res.Commun., 396, 2010
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5HTP
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5HU2
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