2VQZ
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![BU of 2vqz by Molmil](/molmil-images/mine/2vqz) | Structure of the cap-binding domain of influenza virus polymerase subunit PB2 with bound m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, POLYMERASE BASIC PROTEIN 2 | Authors: | Guilligay, D, Tarendeau, F, Resa-Infante, P, Coloma, R, Crepin, T, Sehr, P, Lewis, J, Ruigrok, R.W.H, Ortin, J, Hart, D.J, Cusack, S. | Deposit date: | 2008-03-21 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structural Basis for CAP Binding by Influenza Virus Polymerase Subunit Pb2. Nat.Struct.Mol.Biol., 15, 2008
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8IL0
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![BU of 8il0 by Molmil](/molmil-images/mine/8il0) | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 | Descriptor: | Glycosyltransferase | Authors: | Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P. | Deposit date: | 2023-03-01 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis. Acs Chem.Biol., 18, 2023
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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8ILA
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![BU of 8ila by Molmil](/molmil-images/mine/8ila) | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates | Descriptor: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase | Authors: | Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W. | Deposit date: | 2023-03-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis. Acs Chem.Biol., 18, 2023
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8IA3
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![BU of 8ia3 by Molmil](/molmil-images/mine/8ia3) | Crystal structure of human USF2 bHLHLZ domain in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2 | Authors: | Huang, C, Fang, P, Wang, J. | Deposit date: | 2023-02-07 | Release date: | 2023-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain. J.Biol.Chem., 299, 2023
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8WIA
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![BU of 8wia by Molmil](/molmil-images/mine/8wia) | Crystal structure of E. coli ThrS catalytic domain mutant G463S | Descriptor: | Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WII
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![BU of 8wii by Molmil](/molmil-images/mine/8wii) | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with Obafluorin | Descriptor: | Threonine--tRNA ligase, ZINC ION, ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIJ
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![BU of 8wij by Molmil](/molmil-images/mine/8wij) | Crystal structure of E. coli ThrS catalytic domain mutant L489M in complex with Obafluorin | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIH
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![BU of 8wih by Molmil](/molmil-images/mine/8wih) | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIG
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![BU of 8wig by Molmil](/molmil-images/mine/8wig) | Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A | Descriptor: | Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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6J5S
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![BU of 6j5s by Molmil](/molmil-images/mine/6j5s) | Crystal structure of human HINT1 mutant complexing with AP5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-11 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6J53
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![BU of 6j53 by Molmil](/molmil-images/mine/6j53) | Crystal structure of human HINT1 complexing with ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6J58
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![BU of 6j58 by Molmil](/molmil-images/mine/6j58) | Crystal structure of human HINT1 complexing with AP4A | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6J64
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![BU of 6j64 by Molmil](/molmil-images/mine/6j64) | Crystal structure of human HINT1 mutant complexing with AP4A | Descriptor: | 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-14 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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7EOD
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![BU of 7eod by Molmil](/molmil-images/mine/7eod) | MITF HLHLZ Delta AKE | Descriptor: | GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor | Authors: | Li, P, Liu, Z, Fang, P, Wang, J. | Deposit date: | 2021-04-22 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy. Cell Res., 33, 2023
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5E38
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![BU of 5e38 by Molmil](/molmil-images/mine/5e38) | Structural basis of mapping the spontaneous mutations with 5-flourouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis | Descriptor: | Uracil phosphoribosyltransferase | Authors: | Ghode, P, Jobichen, C, Ramachandran, S, Bifani, P, Sivaraman, J. | Deposit date: | 2015-10-02 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of mapping the spontaneous mutations with 5-flurouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis Biochem.Biophys.Res.Commun., 467, 2015
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8GS1
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![BU of 8gs1 by Molmil](/molmil-images/mine/8gs1) | Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485 | Descriptor: | Azi28, Azi29, FORMIC ACID, ... | Authors: | Cheng, Y, Li, P, Liu, W, Fang, P. | Deposit date: | 2022-09-04 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase. J.Am.Chem.Soc., 145, 2023
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8K9X
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![BU of 8k9x by Molmil](/molmil-images/mine/8k9x) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5) | Descriptor: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9V
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![BU of 8k9v by Molmil](/molmil-images/mine/8k9v) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3) | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9S
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![BU of 8k9s by Molmil](/molmil-images/mine/8k9s) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9U
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![BU of 8k9u by Molmil](/molmil-images/mine/8k9u) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9W
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![BU of 8k9w by Molmil](/molmil-images/mine/8k9w) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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4DPD
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![BU of 4dpd by Molmil](/molmil-images/mine/4dpd) | WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4DDR
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![BU of 4ddr by Molmil](/molmil-images/mine/4ddr) | Human dihydrofolate reductase complexed with NADPH and P218 | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-01-19 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4DPH
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![BU of 4dph by Molmil](/molmil-images/mine/4dph) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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