6A9O
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![BU of 6a9o by Molmil](/molmil-images/mine/6a9o) | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis. J.Biomol.Struct.Dyn., 37, 2019
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7EPK
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3RJQ
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![BU of 3rjq by Molmil](/molmil-images/mine/3rjq) | Crystal structure of anti-HIV llama VHH antibody A12 in complex with C186 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C186 gp120, Llama VHH A12 | Authors: | Chen, L, McLellan, J.S, Kwon, Y.D, Schmidt, S, Wu, X, Zhou, T, Yang, Y, Zhang, B, Forsman, A, Weiss, R.A, Verrips, T, Mascola, J, Kwong, P.D. | Deposit date: | 2011-04-15 | Release date: | 2012-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Crystal structure of anti-HIV A12 VHH of llama antibody in complex with C1086 gp120 To be Published
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7LHJ
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2JNS
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4R5H
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![BU of 4r5h by Molmil](/molmil-images/mine/4r5h) | Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid | Descriptor: | 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | Deposit date: | 2014-08-21 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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3J92
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![BU of 3j92 by Molmil](/molmil-images/mine/3j92) | Structure and assembly pathway of the ribosome quality control complex | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Shao, S, Brown, A, Santhanam, B, Hegde, R.S. | Deposit date: | 2014-12-02 | Release date: | 2015-01-21 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Assembly Pathway of the Ribosome Quality Control Complex. Mol.Cell, 57, 2015
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7LHN
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7LHM
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![BU of 7lhm by Molmil](/molmil-images/mine/7lhm) | |
7LHO
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4R4J
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![BU of 4r4j by Molmil](/molmil-images/mine/4r4j) | Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate | Descriptor: | 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | Deposit date: | 2014-08-19 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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2KAF
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![BU of 2kaf by Molmil](/molmil-images/mine/2kaf) | Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus | Descriptor: | Non-structural protein 3 | Authors: | Johnson, M.A, Mohanty, B, Pedrini, B, Serrano, P, Chatterjee, A, Herrmann, T, Joseph, J, Saikatendu, K, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2008-11-05 | Release date: | 2008-11-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding. J.Mol.Biol., 400, 2010
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3TCL
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![BU of 3tcl by Molmil](/molmil-images/mine/3tcl) | Crystal Structure of HIV-1 Neutralizing Antibody CH04 | Descriptor: | CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE | Authors: | Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D. | Deposit date: | 2011-08-09 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. Nature, 480, 2011
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3R0M
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![BU of 3r0m by Molmil](/molmil-images/mine/3r0m) | Crystal structure of anti-HIV llama VHH antibody A12 | Descriptor: | Llama VHH A12, SULFATE ION | Authors: | Chen, L, McLellan, J.S, Kwon, Y.D, Schmidt, S, Wu, X, Zhou, T, Yang, Y, Zhang, B, Forsman, A, Weiss, R.A, Verrips, T, Mascola, J, Kwong, P.D. | Deposit date: | 2011-03-08 | Release date: | 2012-03-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Single-Headed Immunoglobulins Efficiently Penetrate CD4-Binding Site and Effectively Neutralize HIV-1 To be Published
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4R5M
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![BU of 4r5m by Molmil](/molmil-images/mine/4r5m) | Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid | Descriptor: | 4-nitro-2-phosphonobenzoic acid, Aspartate-semialdehyde dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | Deposit date: | 2014-08-21 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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7XQZ
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![BU of 7xqz by Molmil](/molmil-images/mine/7xqz) | Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+ | Descriptor: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-09 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
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7XR7
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![BU of 7xr7 by Molmil](/molmil-images/mine/7xr7) | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-09 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
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7XRU
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![BU of 7xru by Molmil](/molmil-images/mine/7xru) | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+ | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-11 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
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7XQ4
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![BU of 7xq4 by Molmil](/molmil-images/mine/7xq4) | Drimenyl diphosphate synthase from Streptomyces showdoensis (apo) | Descriptor: | SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-06 | Release date: | 2023-03-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
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7XRA
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![BU of 7xra by Molmil](/molmil-images/mine/7xra) | Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-09 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
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3U4R
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![BU of 3u4r by Molmil](/molmil-images/mine/3u4r) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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3U4O
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![BU of 3u4o by Molmil](/molmil-images/mine/3u4o) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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2LNH
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![BU of 2lnh by Molmil](/molmil-images/mine/2lnh) | Enterohaemorrhagic E. coli (EHEC) exploits a tryptophan switch to hijack host F-actin assembly | Descriptor: | Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1, Neural Wiskott-Aldrich syndrome protein, Secreted effector protein EspF(U) | Authors: | Aitio, O, Hellman, M, Skehan, B, Kesti, T, Leong, J.M, Saksela, K, Permi, P. | Deposit date: | 2011-12-28 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Enterohaemorrhagic Escherichia coli exploits a tryptophan switch to hijack host f-actin assembly. Structure, 20, 2012
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2LLG
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![BU of 2llg by Molmil](/molmil-images/mine/2llg) | NMR structure of the protein NP_814968.1 from Enterococcus faecalis | Descriptor: | Uncharacterized protein | Authors: | Susac, L, Serrano, P, Geralt, M, Mohanty, B, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2011-11-08 | Release date: | 2011-11-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the protein NP_814968.1 from Enterococcus faecalis To be Published
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2L6O
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![BU of 2l6o by Molmil](/molmil-images/mine/2l6o) | NMR structure of the protein YP_926445.1 from Shewanella Amazonensis | Descriptor: | uncharacterized protein YP_926445.1 | Authors: | Serrano, P, Geralt, M, Mohanty, B, Horst, R, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2010-11-23 | Release date: | 2010-12-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the protein YP_926445.1 from Shewanella Amazonensis To be Published
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