8HFW
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6JQ1
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![BU of 6jq1 by Molmil](/molmil-images/mine/6jq1) | Crystal Structure of DdrO from Deinococcus geothermalis | Descriptor: | LITHIUM ION, Transcriptional regulator, XRE family | Authors: | Lu, H, Hua, Y, Zhao, Y. | Deposit date: | 2019-03-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and DNA damage-dependent derepression mechanism for the XRE family member DG-DdrO. Nucleic Acids Res., 47, 2019
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7XIU
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![BU of 7xiu by Molmil](/molmil-images/mine/7xiu) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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7XIT
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![BU of 7xit by Molmil](/molmil-images/mine/7xit) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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7XJ7
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![BU of 7xj7 by Molmil](/molmil-images/mine/7xj7) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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7XJ5
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![BU of 7xj5 by Molmil](/molmil-images/mine/7xj5) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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7XJ4
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![BU of 7xj4 by Molmil](/molmil-images/mine/7xj4) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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7XIS
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![BU of 7xis by Molmil](/molmil-images/mine/7xis) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | Descriptor: | (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ... | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | Deposit date: | 2022-04-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
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8SLN
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8SLM
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![BU of 8slm by Molmil](/molmil-images/mine/8slm) | Crystal structure of Deinococcus geothermalis PprI | Descriptor: | MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ... | Authors: | Zhao, Y, Lu, H. | Deposit date: | 2023-04-23 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA. Nat Commun, 15, 2024
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4EWJ
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![BU of 4ewj by Molmil](/molmil-images/mine/4ewj) | structure of the enloase from Streptococcus suis serotype 2 | Descriptor: | Enolase 2 | Authors: | Lu, Q, Lu, H, Qi, J, Lu, G, Gao, G.F. | Deposit date: | 2012-04-27 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | An octamer of enolase from Streptococcus suis. Protein Cell, 3, 2012
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7ALN
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![BU of 7aln by Molmil](/molmil-images/mine/7aln) | Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D. | Deposit date: | 2020-10-06 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity. Nat Commun, 12, 2021
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2JJY
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![BU of 2jjy by Molmil](/molmil-images/mine/2jjy) | Crystal structure of Francisella tularensis enoyl reductase (ftFabI) with bound NAD | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Luckner, S.R, Lu, H, Truglio, J.J, Tonge, P.J, Kisker, C. | Deposit date: | 2008-04-25 | Release date: | 2009-02-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Slow-Onset Inhibition of the Fabi Enoyl Reductase from Francisella Tularensis: Residence Time and in Vivo Activity Acs Chem.Biol., 4, 2009
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2JNR
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![BU of 2jnr by Molmil](/molmil-images/mine/2jnr) | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | Descriptor: | ENV polyprotein, VIR165 | Authors: | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | Deposit date: | 2007-02-01 | Release date: | 2007-05-08 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide. Cell(Cambridge,Mass.), 129, 2007
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2HY8
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![BU of 2hy8 by Molmil](/molmil-images/mine/2hy8) | PAK1 complex with ST2001 | Descriptor: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1 | Authors: | Schulze-Gahmen, U, Lu, H. | Deposit date: | 2006-08-04 | Release date: | 2006-11-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine To be Published
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1MNA
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![BU of 1mna by Molmil](/molmil-images/mine/1mna) | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1MNQ
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![BU of 1mnq by Molmil](/molmil-images/mine/1mnq) | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1MO2
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![BU of 1mo2 by Molmil](/molmil-images/mine/1mo2) | Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5 | Descriptor: | Erythronolide synthase, modules 5 and 6 | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1MN6
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![BU of 1mn6 by Molmil](/molmil-images/mine/1mn6) | Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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4GYG
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![BU of 4gyg by Molmil](/molmil-images/mine/4gyg) | Crystal structure of the Rio2 kinase from Chaetomium thermophilum | Descriptor: | Rio2 kinase | Authors: | Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N. | Deposit date: | 2012-09-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.482 Å) | Cite: | ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit. Nat.Struct.Mol.Biol., 19, 2012
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4GYI
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![BU of 4gyi by Molmil](/molmil-images/mine/4gyi) | Crystal structure of the Rio2 kinase-ADP/Mg2+-phosphoaspartate complex from Chaetomium thermophilum | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N. | Deposit date: | 2012-09-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit. Nat.Struct.Mol.Biol., 19, 2012
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5T0L
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![BU of 5t0l by Molmil](/molmil-images/mine/5t0l) | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... | Authors: | Thomas, S.B, Chen, Z, Lu, H, Li, Y. | Deposit date: | 2016-08-16 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design. ACS Med Chem Lett, 7, 2016
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2F2C
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![BU of 2f2c by Molmil](/molmil-images/mine/2f2c) | X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol | Descriptor: | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Cell division protein kinase 6, Cyclin homolog, ... | Authors: | Schulze-Gahmen, U, Lu, H. | Deposit date: | 2005-11-16 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition. J.Med.Chem., 49, 2006
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2EUF
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8JYH
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![BU of 8jyh by Molmil](/molmil-images/mine/8jyh) | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid C | Descriptor: | 7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... | Authors: | Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. | Deposit date: | 2023-07-03 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase. J.Nat.Prod., 86, 2023
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