4JTO
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![BU of 4jto by Molmil](/molmil-images/mine/4jto) | |
4KW7
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![BU of 4kw7 by Molmil](/molmil-images/mine/4kw7) | The structure of an As(III) S-adenosylmethionine methyltransferase with Phenylarsine oxide(PAO) | Descriptor: | Arsenic methyltransferase, CALCIUM ION, Phenylarsine oxide | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Rosen, B.P. | Deposit date: | 2013-05-23 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase. Acta Crystallogr.,Sect.D, 71, 2015
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4GRI
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![BU of 4gri by Molmil](/molmil-images/mine/4gri) | |
4JPD
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![BU of 4jpd by Molmil](/molmil-images/mine/4jpd) | |
6W3W
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![BU of 6w3w by Molmil](/molmil-images/mine/6w3w) | An enumerative algorithm for de novo design of proteins with diverse pocket structures | Descriptor: | DENOVO NTF2, NITRATE ION | Authors: | Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CUM
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![BU of 6cum by Molmil](/molmil-images/mine/6cum) | |
6C7C
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![BU of 6c7c by Molmil](/molmil-images/mine/6c7c) | |
4JLC
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![BU of 4jlc by Molmil](/molmil-images/mine/4jlc) | Crystal structure of mouse TBK1 bound to SU6668 | Descriptor: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, Serine/threonine-protein kinase TBK1 | Authors: | Li, P. | Deposit date: | 2013-03-12 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity. Structure, 21, 2013
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4JV3
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![BU of 4jv3 by Molmil](/molmil-images/mine/4jv3) | Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with platencin | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, Beta-ketoacyl synthase | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
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6W3F
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![BU of 6w3f by Molmil](/molmil-images/mine/6w3f) | |
6W40
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![BU of 6w40 by Molmil](/molmil-images/mine/6w40) | |
4JTN
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![BU of 4jtn by Molmil](/molmil-images/mine/4jtn) | |
4JL9
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![BU of 4jl9 by Molmil](/molmil-images/mine/4jl9) | Crystal structure of mouse TBK1 bound to BX795 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Li, P, Shu, C. | Deposit date: | 2013-03-12 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.0999 Å) | Cite: | Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity. Structure, 21, 2013
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6W3D
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![BU of 6w3d by Molmil](/molmil-images/mine/6w3d) | Rd1NTF2_05 with long sheet | Descriptor: | Rd1NTF2_05 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3G
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![BU of 6w3g by Molmil](/molmil-images/mine/6w3g) | Rd1NTF2_04 with long sheet | Descriptor: | Rd1NTF2_04 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CYA
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![BU of 6cya by Molmil](/molmil-images/mine/6cya) | Rotavirus SA11 NSP2 S313A mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 2 | Authors: | Anish, R, Hu, L, Prasad, B.V.V. | Deposit date: | 2018-04-05 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3LRF
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![BU of 3lrf by Molmil](/molmil-images/mine/3lrf) | |
7JIE
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![BU of 7jie by Molmil](/molmil-images/mine/7jie) | |
8DBB
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![BU of 8dbb by Molmil](/molmil-images/mine/8dbb) | Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid | Authors: | Parkins, A, Banumathi, S, Pantouris, G. | Deposit date: | 2022-06-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase. Structure, 31, 2023
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3NXS
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![BU of 3nxs by Molmil](/molmil-images/mine/3nxs) | |
3MD0
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![BU of 3md0 by Molmil](/molmil-images/mine/3md0) | |
3S6O
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![BU of 3s6o by Molmil](/molmil-images/mine/3s6o) | |
3S8D
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![BU of 3s8d by Molmil](/molmil-images/mine/3s8d) | |
8DON
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![BU of 8don by Molmil](/molmil-images/mine/8don) | Beta-lactamase CTX-M-14 T215A | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-07-13 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DOE
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![BU of 8doe by Molmil](/molmil-images/mine/8doe) | Crystal Structure of CTX-M-14 N106A | Descriptor: | Beta-lactamase | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-07-12 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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