8EDE
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![BU of 8ede by Molmil](/molmil-images/mine/8ede) | Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1 | Descriptor: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | Authors: | Patel, R, Imhoff, R, Flaherty, D, Das, C. | Deposit date: | 2022-09-04 | Release date: | 2023-09-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1. J.Med.Chem., 67, 2024
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8FEK
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![BU of 8fek by Molmil](/molmil-images/mine/8fek) | |
5VIG
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![BU of 5vig by Molmil](/molmil-images/mine/5vig) | Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII | Descriptor: | CITRATE ANION, Fab heavy chain, Fab light chain, ... | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-04-16 | Release date: | 2017-05-03 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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5KRE
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![BU of 5kre by Molmil](/molmil-images/mine/5kre) | Covalent inhibitor of LYPLAL1 | Descriptor: | (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION | Authors: | Pandit, J. | Deposit date: | 2016-07-07 | Release date: | 2016-07-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism. Acs Chem.Biol., 11, 2016
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6VO1
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![BU of 6vo1 by Molmil](/molmil-images/mine/6vo1) | BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20J | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Cottrell, C.A, Ward, A.B. | Deposit date: | 2020-01-29 | Release date: | 2020-07-01 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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6VN0
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![BU of 6vn0 by Molmil](/molmil-images/mine/6vn0) | BG505 SOSIP.v4.1 in complex with rhesus macaque Fab RM20F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Cottrell, C.A, Shin, M, Ward, A.B. | Deposit date: | 2020-01-29 | Release date: | 2020-06-24 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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6VLR
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![BU of 6vlr by Molmil](/molmil-images/mine/6vlr) | BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20E1 and PGT122 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIPv5.2 gp41, ... | Authors: | Cottrell, C.A, Ward, A.B. | Deposit date: | 2020-01-24 | Release date: | 2020-06-24 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (4.42 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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6VOS
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![BU of 6vos by Molmil](/molmil-images/mine/6vos) | Crystal structure of macaque anti-HIV-1 antibody RM20J | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, ... | Authors: | Yuan, M, Wilson, I.A. | Deposit date: | 2020-01-31 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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6VOR
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![BU of 6vor by Molmil](/molmil-images/mine/6vor) | Crystal structure of macaque anti-HIV-1 antibody RM20E1 | Descriptor: | GLYCINE, RM20E1 Fab heavy chain, RM20E1 Fab light chain | Authors: | Yuan, M, Wilson, I.A. | Deposit date: | 2020-01-31 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog., 16, 2020
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6VSR
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![BU of 6vsr by Molmil](/molmil-images/mine/6vsr) | |
4N5U
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![BU of 4n5u by Molmil](/molmil-images/mine/4n5u) | Crystal structure of the 4th FN3 domain of human Protein Tyrosine phosphatase, receptor type F [PSI-NYSGRC-006240] | Descriptor: | Receptor-type tyrosine-protein phosphatase F, SULFATE ION | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.456 Å) | Cite: | Crystal structure of the 4th FN3 domain of human PTP, receptor F [PSI-NYSGRC-006240] to be published
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4N68
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![BU of 4n68 by Molmil](/molmil-images/mine/4n68) | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804] | Descriptor: | Contactin-5, SULFATE ION | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-11 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804] to be published
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4N8P
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![BU of 4n8p by Molmil](/molmil-images/mine/4n8p) | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] to be published
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4KKN
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![BU of 4kkn by Molmil](/molmil-images/mine/4kkn) | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704 | Descriptor: | Cytotoxic T-lymphocyte associated protein 4, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Bonanno, J, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Scott Glenn, A, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-05-06 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704 to be published
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4NOF
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![BU of 4nof by Molmil](/molmil-images/mine/4nof) | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor | Authors: | Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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4NOB
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![BU of 4nob by Molmil](/molmil-images/mine/4nob) | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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3CDE
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![BU of 3cde by Molmil](/molmil-images/mine/3cde) | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2008-02-26 | Release date: | 2009-03-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg.Med.Chem.Lett., 18, 2008
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7ST4
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![BU of 7st4 by Molmil](/molmil-images/mine/7st4) | Calcium-saturated jGCaMP8.410.80 | Descriptor: | CALCIUM ION, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Zhang, Y, Looger, L.L. | Deposit date: | 2021-11-11 | Release date: | 2022-11-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fast and sensitive GCaMP calcium indicators for imaging neural populations Nature, 615, 2023
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6WC6
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![BU of 6wc6 by Molmil](/molmil-images/mine/6wc6) | |
8COH
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![BU of 8coh by Molmil](/molmil-images/mine/8coh) | Structure of the complement C5 specific nanobody TPP-3444 | Descriptor: | CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444 | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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8COE
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![BU of 8coe by Molmil](/molmil-images/mine/8coe) | complement C5 in complex with the LCP0195 nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ... | Authors: | Andersen, G.R, Pedersen, D.V. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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5VIC
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![BU of 5vic by Molmil](/molmil-images/mine/5vic) | Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII | Descriptor: | Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-04-14 | Release date: | 2017-05-03 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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3BR9
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![BU of 3br9 by Molmil](/molmil-images/mine/3br9) | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2007-12-21 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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3BSC
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![BU of 3bsc by Molmil](/molmil-images/mine/3bsc) | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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3BSA
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![BU of 3bsa by Molmil](/molmil-images/mine/3bsa) | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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