1BQ1
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![BU of 1bq1 by Molmil](/molmil-images/mine/1bq1) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-05-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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2K6U
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![BU of 2k6u by Molmil](/molmil-images/mine/2k6u) | The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF) | Descriptor: | Insulin-like 3 A chain, Insulin-like 3 B chain | Authors: | Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J. | Deposit date: | 2008-07-24 | Release date: | 2008-12-16 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor Biochemistry, 47, 2008
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2K4F
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![BU of 2k4f by Molmil](/molmil-images/mine/2k4f) | Mouse CD3epsilon Cytoplasmic Tail | Descriptor: | T-cell surface glycoprotein CD3 epsilon chain | Authors: | Xu, C, Call, M.E, Schwieters, C.D, Schnell, J.R, Gagnon, E.E, Wucherpfennig, K.W, Chou, J.J. | Deposit date: | 2008-06-07 | Release date: | 2008-12-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Regulation of T Cell Receptor Activation by Dynamic Membrane Binding of the CD3varepsilon Cytoplasmic Tyrosine-Based Motif. Cell(Cambridge,Mass.), 135, 2008
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1CVY
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![BU of 1cvy by Molmil](/molmil-images/mine/1cvy) | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYPYPYBETADP)2 BOUND TO CCAGATCTGG | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1999-08-24 | Release date: | 2000-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove. J.Mol.Biol., 295, 2000
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2KCE
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![BU of 2kce by Molmil](/molmil-images/mine/2kce) | |
2K6T
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![BU of 2k6t by Molmil](/molmil-images/mine/2k6t) | Solution structure of the relaxin-like factor | Descriptor: | Insulin-like 3 A chain, Insulin-like 3 B chain | Authors: | Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J. | Deposit date: | 2008-07-23 | Release date: | 2008-12-16 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor Biochemistry, 47, 2008
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2KTZ
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![BU of 2ktz by Molmil](/molmil-images/mine/2ktz) | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | Descriptor: | (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | Deposit date: | 2010-02-10 | Release date: | 2010-04-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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1ACF
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![BU of 1acf by Molmil](/molmil-images/mine/1acf) | ACANTHAMOEBA CASTELLANII PROFILIN IB | Descriptor: | PROFILIN I | Authors: | Fedorov, A.A, Magnus, K.A, Graupe, M.H, Lattman, E.E, Pollard, T.D, Almo, S.C. | Deposit date: | 1994-07-29 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structures of isoforms of the actin-binding protein profilin that differ in their affinity for phosphatidylinositol phosphates. Proc.Natl.Acad.Sci.USA, 91, 1994
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1BQ2
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![BU of 1bq2 by Molmil](/molmil-images/mine/1bq2) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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1ENC
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![BU of 1enc by Molmil](/molmil-images/mine/1enc) | CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Libson, A, Gittis, A, Lattman, E.E. | Deposit date: | 1994-02-14 | Release date: | 1994-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding. Biochemistry, 33, 1994
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1ENA
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![BU of 1ena by Molmil](/molmil-images/mine/1ena) | |
1EXJ
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![BU of 1exj by Molmil](/molmil-images/mine/1exj) | CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPP | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*TP*CP*CP*CP*CP*TP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*T)-3'), MULTIDRUG-EFFLUX TRANSPORTER REGULATOR, SODIUM ION, ... | Authors: | Zheleznova-Heldwein, E.E, Brennan, R.G. | Deposit date: | 2000-05-02 | Release date: | 2001-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the transcription activator BmrR bound to DNA and a drug. Nature, 409, 2001
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2OHO
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![BU of 2oho by Molmil](/molmil-images/mine/2oho) | |
1EXI
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![BU of 1exi by Molmil](/molmil-images/mine/1exi) | CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPSB | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*TP*CP*CP*CP*CP*TP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*T)-3'), MULTIDRUG-EFFLUX TRANSPORTER REGULATOR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Zheleznova-Heldwein, E.E, Brennan, R.G. | Deposit date: | 2000-05-02 | Release date: | 2001-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Crystal structure of the transcription activator BmrR bound to DNA and a drug. Nature, 409, 2001
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7KQ8
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![BU of 7kq8 by Molmil](/molmil-images/mine/7kq8) | Structure of iron bound MEMO1 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells. Elife, 13, 2024
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7KXS
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![BU of 7kxs by Molmil](/molmil-images/mine/7kxs) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2020-12-04 | Release date: | 2021-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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7L5C
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![BU of 7l5c by Molmil](/molmil-images/mine/7l5c) | Structure of copper bound MEMO1 | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, GLYCEROL, ... | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | Deposit date: | 2020-12-21 | Release date: | 2022-01-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells. Elife, 13, 2024
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1Z0C
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![BU of 1z0c by Molmil](/molmil-images/mine/1z0c) | Crystal Structure of A. fulgidus Lon proteolytic domain D508A mutant | Descriptor: | Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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1Z0W
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![BU of 1z0w by Molmil](/molmil-images/mine/1z0w) | Crystal Structure of A. fulgidus Lon proteolytic domain at 1.2A resolution | Descriptor: | CALCIUM ION, Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-02 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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1ZJE
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![BU of 1zje by Molmil](/molmil-images/mine/1zje) | 12mer-spd | Descriptor: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | Deposit date: | 2005-04-28 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site. J.Mol.Biol., 349, 2005
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7M17
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![BU of 7m17 by Molmil](/molmil-images/mine/7m17) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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7M19
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![BU of 7m19 by Molmil](/molmil-images/mine/7m19) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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2ACG
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![BU of 2acg by Molmil](/molmil-images/mine/2acg) | ACANTHAMOEBA CASTELLANII PROFILIN II | Descriptor: | PROFILIN II | Authors: | Fedorov, A.A, Magnus, K.A, Graupe, M.H, Lattman, E.E, Pollard, T.D, Almo, S.C. | Deposit date: | 1994-08-30 | Release date: | 1994-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structures of isoforms of the actin-binding protein profilin that differ in their affinity for phosphatidylinositol phosphates. Proc.Natl.Acad.Sci.USA, 91, 1994
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1Z0B
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![BU of 1z0b by Molmil](/molmil-images/mine/1z0b) | Crystal Structure of A. fulgidus Lon proteolytic domain E506A mutant | Descriptor: | CALCIUM ION, Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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5AGT
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![BU of 5agt by Molmil](/molmil-images/mine/5agt) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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