3W3X
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![BU of 3w3x by Molmil](/molmil-images/mine/3w3x) | Crystal structure of Kap121p bound to Pho4p | Descriptor: | Importin subunit beta-3, Phosphate system positive regulatory protein PHO4 | Authors: | Kobayashi, J, Matsuura, Y. | Deposit date: | 2012-12-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p. J.Mol.Biol., 425, 2013
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8CM6
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![BU of 8cm6 by Molmil](/molmil-images/mine/8cm6) | W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2023-02-17 | Release date: | 2023-09-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol., 20, 2024
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6E1U
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![BU of 6e1u by Molmil](/molmil-images/mine/6e1u) | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 2: 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine, MAGNESIUM ION, RNA (33-MER) | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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8CAL
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![BU of 8cal by Molmil](/molmil-images/mine/8cal) | |
6DYC
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![BU of 6dyc by Molmil](/molmil-images/mine/6dyc) | Co(II)-bound structure of the engineered cyt cb562 variant, CH3 | Descriptor: | CALCIUM ION, COBALT (II) ION, HEME C, ... | Authors: | Tezcan, F.A, Rittle, J. | Deposit date: | 2018-07-01 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | An efficient, step-economical strategy for the design of functional metalloproteins. Nat.Chem., 11, 2019
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6DYR
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![BU of 6dyr by Molmil](/molmil-images/mine/6dyr) | C-terminal condensation domain of Ebony in complex with Carcinine | Descriptor: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | Deposit date: | 2018-07-02 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4UH6
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![BU of 4uh6 by Molmil](/molmil-images/mine/4uh6) | Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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6DZ2
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![BU of 6dz2 by Molmil](/molmil-images/mine/6dz2) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
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8CAK
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![BU of 8cak by Molmil](/molmil-images/mine/8cak) | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 | Descriptor: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ... | Authors: | Reis, J, Mattevi, A. | Deposit date: | 2023-01-24 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
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8CM5
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![BU of 8cm5 by Molmil](/molmil-images/mine/8cm5) | W-formate dehydrogenase C872A from Desulfovibrio vulgaris | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | Authors: | Vilela-Alves, G, Mota, C, Klymanska, K, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2023-02-17 | Release date: | 2023-09-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol., 20, 2024
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6DZQ
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![BU of 6dzq by Molmil](/molmil-images/mine/6dzq) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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4UHJ
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![BU of 4uhj by Molmil](/molmil-images/mine/4uhj) | |
3W3Y
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![BU of 3w3y by Molmil](/molmil-images/mine/3w3y) | Crystal structure of Kap121p bound to Nup53p | Descriptor: | Importin subunit beta-3, Nucleoporin NUP53 | Authors: | Kobayashi, J, Matsuura, Y. | Deposit date: | 2012-12-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p. J.Mol.Biol., 425, 2013
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6E3M
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![BU of 6e3m by Molmil](/molmil-images/mine/6e3m) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E0O
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![BU of 6e0o by Molmil](/molmil-images/mine/6e0o) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | Descriptor: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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8CJ7
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![BU of 8cj7 by Molmil](/molmil-images/mine/8cj7) | HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor | Descriptor: | 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... | Authors: | Sandmark, J, Ek, M, Ripa, L. | Deposit date: | 2023-02-12 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism. J.Med.Chem., 66, 2023
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4UDR
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![BU of 4udr by Molmil](/molmil-images/mine/4udr) | Crystal structure of the H467A mutant of 5-hydroxymethylfurfural oxidase (HMFO) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | Deposit date: | 2014-12-11 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase Acs Catalysis, 5, 2015
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4UDQ
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![BU of 4udq by Molmil](/molmil-images/mine/4udq) | Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the reduced state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | Deposit date: | 2014-12-11 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase Acs Catalysis, 5, 2015
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6DY6
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![BU of 6dy6 by Molmil](/molmil-images/mine/6dy6) | Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E | Descriptor: | HEME C, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tezcan, F.A, Rittle, J. | Deposit date: | 2018-07-01 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An efficient, step-economical strategy for the design of functional metalloproteins. Nat.Chem., 11, 2019
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4UHT
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![BU of 4uht by Molmil](/molmil-images/mine/4uht) | |
6DYL
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![BU of 6dyl by Molmil](/molmil-images/mine/6dyl) | |
6E3K
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![BU of 6e3k by Molmil](/molmil-images/mine/6e3k) | Interferon gamma signalling complex with IFNGR1 and IFNGR2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jude, K.M, Mendoza, J.L, Garcia, K.C. | Deposit date: | 2018-07-14 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of the IFN gamma receptor complex guides design of biased agonists. Nature, 567, 2019
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6E3L
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![BU of 6e3l by Molmil](/molmil-images/mine/6e3l) | Interferon gamma signalling complex with IFNGR1 and IFNGR2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ... | Authors: | Jude, K.M, Mendoza, J.L, Garcia, K.C. | Deposit date: | 2018-07-14 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of the IFN gamma receptor complex guides design of biased agonists. Nature, 567, 2019
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4UZ1
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![BU of 4uz1 by Molmil](/molmil-images/mine/4uz1) | |
6E0M
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![BU of 6e0m by Molmil](/molmil-images/mine/6e0m) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase | Descriptor: | DIPHOSPHATE, cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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