7U0R
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![BU of 7u0r by Molmil](/molmil-images/mine/7u0r) | Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A. | Deposit date: | 2022-02-18 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo. Nat.Chem., 15, 2023
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4XWA
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![BU of 4xwa by Molmil](/molmil-images/mine/4xwa) | TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine | Descriptor: | 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid, Thymidylate kinase | Authors: | Olivier, N.B. | Deposit date: | 2015-01-28 | Release date: | 2015-02-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1 Bioorg Med Chem Lett, 2015
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6ULG
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![BU of 6ulg by Molmil](/molmil-images/mine/6ulg) | Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex | Descriptor: | Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M. | Deposit date: | 2019-10-08 | Release date: | 2019-11-20 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex. Cell, 179, 2019
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8B7J
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![BU of 8b7j by Molmil](/molmil-images/mine/8b7j) | Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A | Descriptor: | HSP90AA1 protein | Authors: | Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J. | Deposit date: | 2022-09-30 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Visualizing the transiently populated closed-state of human HSP90 ATP binding domain. Nat Commun, 13, 2022
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7LS9
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![BU of 7ls9 by Molmil](/molmil-images/mine/7ls9) | |
1A3X
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![BU of 1a3x by Molmil](/molmil-images/mine/1a3x) | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+ | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | Deposit date: | 1998-01-26 | Release date: | 1998-05-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate. Structure, 6, 1998
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8UDG
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![BU of 8udg by Molmil](/molmil-images/mine/8udg) | S1V2-72 Fab bound to EHA2 from influenza B/Malaysia/2506/2004 | Descriptor: | Hemagglutinin, S1V2-72 heavy chain, S1V2-72 light chain | Authors: | Finney, J, Kong, S, Walsh Jr, R.M, Harrison, S.C, Kelsoe, G. | Deposit date: | 2023-09-28 | Release date: | 2023-11-15 | Last modified: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (4.98 Å) | Cite: | Protective human antibodies against a conserved epitope in pre- and postfusion influenza hemagglutinin. Proc.Natl.Acad.Sci.USA, 121, 2024
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4ZH7
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![BU of 4zh7 by Molmil](/molmil-images/mine/4zh7) | Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA | Descriptor: | Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | Authors: | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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5YTH
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![BU of 5yth by Molmil](/molmil-images/mine/5yth) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dG | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5F8I
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![BU of 5f8i by Molmil](/molmil-images/mine/5f8i) | Enterovirus 71 Polymerase Elongation Complex (C1S2/3 Form) | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, Genome polyprotein, ... | Authors: | Shu, B, Gong, P. | Deposit date: | 2015-12-09 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation Proc.Natl.Acad.Sci.USA, 113, 2016
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5DUE
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![BU of 5due by Molmil](/molmil-images/mine/5due) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide | Descriptor: | 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5YTG
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![BU of 5ytg by Molmil](/molmil-images/mine/5ytg) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(94O)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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8UUL
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![BU of 8uul by Molmil](/molmil-images/mine/8uul) | Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8UUN
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![BU of 8uun by Molmil](/molmil-images/mine/8uun) | Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8G4D
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![BU of 8g4d by Molmil](/molmil-images/mine/8g4d) | BceABS ATPgS tilted BceS | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2023-02-09 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module. Nat Commun, 14, 2023
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8U0X
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![BU of 8u0x by Molmil](/molmil-images/mine/8u0x) | Yeast Pex6 N1(1-184) Domain | Descriptor: | Peroxisomal ATPase PEX6 | Authors: | Gardner, B.M, Ali, B.A. | Deposit date: | 2023-08-29 | Release date: | 2023-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1. J.Biol.Chem., 300, 2023
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8GOY
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![BU of 8goy by Molmil](/molmil-images/mine/8goy) | SulE P44R | Descriptor: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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5DK6
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![BU of 5dk6 by Molmil](/molmil-images/mine/5dk6) | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-09-03 | Release date: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION To be published
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8GJS
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![BU of 8gjs by Molmil](/molmil-images/mine/8gjs) | Stapled Peptide ALRN-6924 Bound to MDMX | Descriptor: | ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4 | Authors: | Graves, B.J, Janson, C, Lukacs, C. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development. J.Med.Chem., 66, 2023
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8GOL
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![BU of 8gol by Molmil](/molmil-images/mine/8gol) | crystal structure of SulE | Descriptor: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, Ran, T, Wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GP0
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![BU of 8gp0 by Molmil](/molmil-images/mine/8gp0) | crystal structure of SulE | Descriptor: | Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL | Authors: | Liu, B, Ran, T, wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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6TU4
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![BU of 6tu4 by Molmil](/molmil-images/mine/6tu4) | Structure of Plasmodium Actin1 filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Vahokoski, J, Calder, L.J, Lopez, A.J, Rosenthal, P.B, Kursula, I. | Deposit date: | 2020-01-02 | Release date: | 2021-01-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | High-resolution structures of malaria parasite actomyosin and actin filaments. Plos Pathog., 18, 2022
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6W2H
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![BU of 6w2h by Molmil](/molmil-images/mine/6w2h) | Crystal Structure of the Internal UBA Domain of HHR23A | Descriptor: | SULFATE ION, UV excision repair protein RAD23 homolog A | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A. Biochemistry, 61, 2022
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8G47
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![BU of 8g47 by Molmil](/molmil-images/mine/8g47) | KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold | Descriptor: | AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2023-02-08 | Release date: | 2023-08-09 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold. Proc.Natl.Acad.Sci.USA, 120, 2023
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6T1U
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![BU of 6t1u by Molmil](/molmil-images/mine/6t1u) | Cytochrome P450 reductase from Candida tropicalis | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase | Authors: | Opperman, D.J, Sewell, B.T. | Deposit date: | 2019-10-06 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis. Sci Rep, 9, 2019
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