4NIR
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![BU of 4nir by Molmil](/molmil-images/mine/4nir) | |
4NHV
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![BU of 4nhv by Molmil](/molmil-images/mine/4nhv) | |
4NIL
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![BU of 4nil by Molmil](/molmil-images/mine/4nil) | |
6NXD
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![BU of 6nxd by Molmil](/molmil-images/mine/6nxd) | |
4D8Z
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![BU of 4d8z by Molmil](/molmil-images/mine/4d8z) | Crystal structure of B. anthracis DHPS with compound 24 | Descriptor: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-11 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4DAF
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![BU of 4daf by Molmil](/molmil-images/mine/4daf) | Crystal structure of B. anthracis DHPS with compound 19 | Descriptor: | (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-12 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4D9P
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![BU of 4d9p by Molmil](/molmil-images/mine/4d9p) | Crystal structure of B. anthracis DHPS with compound 17 | Descriptor: | (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-11 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4D8A
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![BU of 4d8a by Molmil](/molmil-images/mine/4d8a) | Crystal structure of B. anthracis DHPS with compound 21 | Descriptor: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-10 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.183 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4DAI
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![BU of 4dai by Molmil](/molmil-images/mine/4dai) | Crystal structure of B. anthracis DHPS with compound 23 | Descriptor: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4DB7
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![BU of 4db7 by Molmil](/molmil-images/mine/4db7) | Crystal structure of B. anthracis DHPS with compound 25 | Descriptor: | 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-13 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4E5G
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![BU of 4e5g by Molmil](/molmil-images/mine/4e5g) | Crystal structure of avian influenza virus PAn bound to compound 2 | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5E
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![BU of 4e5e by Molmil](/molmil-images/mine/4e5e) | Crystal structure of avian influenza virus PAn Apo | Descriptor: | MANGANESE (II) ION, Polymerase protein PA, SULFATE ION | Authors: | DuBois, R.M, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5F
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![BU of 4e5f by Molmil](/molmil-images/mine/4e5f) | Crystal structure of avian influenza virus PAn bound to compound 1 | Descriptor: | 2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5L
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![BU of 4e5l by Molmil](/molmil-images/mine/4e5l) | Crystal structure of avian influenza virus PAn bound to compound 6 | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.469 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5H
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![BU of 4e5h by Molmil](/molmil-images/mine/4e5h) | Crystal structure of avian influenza virus PAn bound to compound 3 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.158 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5J
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![BU of 4e5j by Molmil](/molmil-images/mine/4e5j) | Crystal structure of avian influenza virus PAn bound to compound 5 | Descriptor: | 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5I
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![BU of 4e5i by Molmil](/molmil-images/mine/4e5i) | Crystal structure of avian influenza virus PAn bound to compound 4 | Descriptor: | 5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.944 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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6NXC
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![BU of 6nxc by Molmil](/molmil-images/mine/6nxc) | |
7M0N
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![BU of 7m0n by Molmil](/molmil-images/mine/7m0n) | The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W. | Deposit date: | 2021-03-11 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6NX9
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![BU of 6nx9 by Molmil](/molmil-images/mine/6nx9) | |
6NX7
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![BU of 6nx7 by Molmil](/molmil-images/mine/6nx7) | |
6NX6
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![BU of 6nx6 by Molmil](/molmil-images/mine/6nx6) | |
6NXB
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![BU of 6nxb by Molmil](/molmil-images/mine/6nxb) | ECAII IN COMPLEX WITH CITRATE AT PH 7 | Descriptor: | CITRIC ACID, GLYCEROL, L-asparaginase 2 | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2019-02-08 | Release date: | 2019-08-07 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
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6NXA
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![BU of 6nxa by Molmil](/molmil-images/mine/6nxa) | ECAII(D90T,K162T) MUTANT AT PH 7 | Descriptor: | ACETIC ACID, GLYCEROL, L-asparaginase 2 | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2019-02-08 | Release date: | 2019-08-07 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
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6NX8
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![BU of 6nx8 by Molmil](/molmil-images/mine/6nx8) | |