1BCF
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![BU of 1bcf by Molmil](/molmil-images/mine/1bcf) | THE STRUCTURE OF A UNIQUE, TWO-FOLD SYMMETRIC, HAEM-BINDING SITE | Descriptor: | BACTERIOFERRITIN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Frolow, F, Kalb(Gilboa), A.J, Yariv, J. | Deposit date: | 1993-12-06 | Release date: | 1994-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a unique twofold symmetric haem-binding site. Nat.Struct.Biol., 1, 1994
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8KD4
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![BU of 8kd4 by Molmil](/molmil-images/mine/8kd4) | Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class1 | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | Deposit date: | 2023-08-09 | Release date: | 2023-09-13 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex. Cell Res., 33, 2023
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8KC7
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![BU of 8kc7 by Molmil](/molmil-images/mine/8kc7) | Rpd3S histone deacetylase complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | Deposit date: | 2023-08-06 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex. Cell Res., 33, 2023
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8FZB
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![BU of 8fzb by Molmil](/molmil-images/mine/8fzb) | Crystal structure of human FAM86A | Descriptor: | Protein-lysine N-methyltransferase EEF2KMT, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Shao, Z, Lu, J, Song, J. | Deposit date: | 2023-01-28 | Release date: | 2023-06-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | The FAM86 domain of FAM86A confers substrate specificity to promote EEF2-Lys525 methylation. J.Biol.Chem., 299, 2023
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8KD2
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![BU of 8kd2 by Molmil](/molmil-images/mine/8kd2) | Rpd3S in complex with 187bp nucleosome | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | Deposit date: | 2023-08-09 | Release date: | 2023-09-13 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex. Cell Res., 33, 2023
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8KD7
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![BU of 8kd7 by Molmil](/molmil-images/mine/8kd7) | Rpd3S in complex with nucleosome with H3K36MLA modification and 167bp DNA | Descriptor: | 167bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J. | Deposit date: | 2023-08-09 | Release date: | 2023-09-13 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex. Cell Res., 33, 2023
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7RIX
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![BU of 7rix by Molmil](/molmil-images/mine/7rix) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2 | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RIW
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![BU of 7riw by Molmil](/molmil-images/mine/7riw) | RNA polymerase II elongation complex scaffold 2, without polyamide | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RIL
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![BU of 7ril by Molmil](/molmil-images/mine/7ril) | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RIM
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![BU of 7rim by Molmil](/molmil-images/mine/7rim) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GHT
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![BU of 8ght by Molmil](/molmil-images/mine/8ght) | Cryo-electron microscopy structure of the zinc transporter from Bordetella bronchiseptica | Descriptor: | CADMIUM ION, PHOSPHATIDYLETHANOLAMINE, Putative membrane protein | Authors: | Liu, Q, Chai, J, Pang, C.X, Shanklin, J. | Deposit date: | 2023-03-12 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters. Nat Commun, 14, 2023
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7RIY
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![BU of 7riy by Molmil](/molmil-images/mine/7riy) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2 soaked with UTP | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UVO
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![BU of 7uvo by Molmil](/molmil-images/mine/7uvo) | Pfs230 domain 1 bound by RUPA-38 Fab | Descriptor: | CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ... | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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7UVH
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![BU of 7uvh by Molmil](/molmil-images/mine/7uvh) | Pfs230 domain 1 bound by RUPA-32 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ... | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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7RIP
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![BU of 7rip by Molmil](/molmil-images/mine/7rip) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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5LIK
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![BU of 5lik by Molmil](/molmil-images/mine/5lik) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-14 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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7RIQ
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![BU of 7riq by Molmil](/molmil-images/mine/7riq) | RNA polymerase II elongation complex scaffold 1 without polyamide | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UVI
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![BU of 7uvi by Molmil](/molmil-images/mine/7uvi) | Pfs230 domain 1 bound by RUPA-55 Fab | Descriptor: | Gametocyte surface protein P230, RUPA-55 Fab heavy chain, RUPA-55 Fab light chain | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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5LIY
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![BU of 5liy by Molmil](/molmil-images/mine/5liy) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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1A5V
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![BU of 1a5v by Molmil](/molmil-images/mine/1a5v) | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION | Descriptor: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE, MANGANESE (II) ION | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | Deposit date: | 1998-02-18 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor. Proc.Natl.Acad.Sci.USA, 95, 1998
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8EYQ
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![BU of 8eyq by Molmil](/molmil-images/mine/8eyq) | 30S_delta_ksgA_h44_inactive_conformation | Descriptor: | 16S_rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Ortega, J, Sun, J. | Deposit date: | 2022-10-28 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | KsgA facilitates ribosomal small subunit maturation by proofreading a key structural lesion. Nat.Struct.Mol.Biol., 30, 2023
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1A5X
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![BU of 1a5x by Molmil](/molmil-images/mine/1a5x) | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 | Descriptor: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | Deposit date: | 1998-02-18 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor. Proc.Natl.Acad.Sci.USA, 95, 1998
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6XKI
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![BU of 6xki by Molmil](/molmil-images/mine/6xki) | Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog | Descriptor: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | Authors: | Liang, J, Naineni, S.K, Pelletier, J, Nagar, B. | Deposit date: | 2020-06-26 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A. Cell Chem Biol, 28, 2021
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5LIX
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![BU of 5lix by Molmil](/molmil-images/mine/5lix) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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5D7R
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![BU of 5d7r by Molmil](/molmil-images/mine/5d7r) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-14 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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