8RJ9
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8RJ6
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![BU of 8rj6 by Molmil](/molmil-images/mine/8rj6) | E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | 登録日 | 2023-12-20 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
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8RJ4
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![BU of 8rj4 by Molmil](/molmil-images/mine/8rj4) | E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | 著者 | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | 登録日 | 2023-12-20 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
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8RIW
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![BU of 8riw by Molmil](/molmil-images/mine/8riw) | T2R-TTL-1-L01 complex | 分子名称: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | 登録日 | 2023-12-19 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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8RIH
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8RI2
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![BU of 8ri2 by Molmil](/molmil-images/mine/8ri2) | Crystal structure of NLRP3 in complex with inhibitor NP3-562 | 分子名称: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | 著者 | Dekker, C. | 登録日 | 2023-12-18 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. J.Med.Chem., 67, 2024
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8RHZ
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![BU of 8rhz by Molmil](/molmil-images/mine/8rhz) | Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer | 分子名称: | Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION | 著者 | Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | 登録日 | 2023-12-17 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex. Nat.Struct.Mol.Biol., 2024
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8RHR
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![BU of 8rhr by Molmil](/molmil-images/mine/8rhr) | E.coli Peptide Deformylase with bound inhibitor BB4 | 分子名称: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Kirschner, H, Stoll, R, Hofmann, E. | 登録日 | 2023-12-16 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase. J.Med.Chem., 67, 2024
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8RHK
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![BU of 8rhk by Molmil](/molmil-images/mine/8rhk) | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | 登録日 | 2023-12-15 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHJ
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![BU of 8rhj by Molmil](/molmil-images/mine/8rhj) | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | 登録日 | 2023-12-15 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHI
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![BU of 8rhi by Molmil](/molmil-images/mine/8rhi) | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | 著者 | Miguel-Ruano, V, Hermoso, J.A. | 登録日 | 2023-12-15 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A. Int.J.Biol.Macromol., 267, 2024
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8RHF
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![BU of 8rhf by Molmil](/molmil-images/mine/8rhf) | Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains | 分子名称: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, DI(HYDROXYETHYL)ETHER, LysM peptidoglycan-binding domain-containing protein, ... | 著者 | Miguel-Ruano, V, Hermoso, J.A. | 登録日 | 2023-12-15 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A. Int.J.Biol.Macromol., 267, 2024
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8RHE
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8RH3
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![BU of 8rh3 by Molmil](/molmil-images/mine/8rh3) | Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Gemcitabine | 分子名称: | (2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol, Nucleoside 2-deoxyribosyltransferase | 著者 | Tang, P, Harding, C.J, Czekster, C.M. | 登録日 | 2023-12-14 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
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8RGT
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![BU of 8rgt by Molmil](/molmil-images/mine/8rgt) | Open Complex I from murine brain | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Vercellino, I, Sazanov, L.A. | 登録日 | 2023-12-14 | 公開日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGR
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![BU of 8rgr by Molmil](/molmil-images/mine/8rgr) | Closed Complex I from murine liver | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Vercellino, I, Sazanov, L.A. | 登録日 | 2023-12-14 | 公開日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGQ
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![BU of 8rgq by Molmil](/molmil-images/mine/8rgq) | Open Complex I from murine liver | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Vercellino, I, Sazanov, L.A. | 登録日 | 2023-12-14 | 公開日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGP
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![BU of 8rgp by Molmil](/molmil-images/mine/8rgp) | Closed Complex I from murine brain | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Vercellino, I, Sazanov, L.A. | 登録日 | 2023-12-14 | 公開日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RFF
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![BU of 8rff by Molmil](/molmil-images/mine/8rff) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data | 分子名称: | 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFD
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![BU of 8rfd by Molmil](/molmil-images/mine/8rfd) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data | 分子名称: | (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFC
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![BU of 8rfc by Molmil](/molmil-images/mine/8rfc) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data | 分子名称: | (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF8
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![BU of 8rf8 by Molmil](/molmil-images/mine/8rf8) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data | 分子名称: | 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF6
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![BU of 8rf6 by Molmil](/molmil-images/mine/8rf6) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data | 分子名称: | 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF5
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![BU of 8rf5 by Molmil](/molmil-images/mine/8rf5) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data | 分子名称: | 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF4
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![BU of 8rf4 by Molmil](/molmil-images/mine/8rf4) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data | 分子名称: | 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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