3G1L
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![BU of 3g1l by Molmil](/molmil-images/mine/3g1l) | EthR from Mycobacterium tuberculosis in complex with compound BDM14744 | Descriptor: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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6TRP
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![BU of 6trp by Molmil](/molmil-images/mine/6trp) | Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD | Descriptor: | Peptide synthetase XpsB,Peptide synthetase XpsB | Authors: | Watzel, J, Hacker, C, Duchardt-Ferner, E, Bode, H.B, Woehnert, J. | Deposit date: | 2019-12-19 | Release date: | 2020-08-12 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase fromXenorhabdus bovienii. Acs Chem.Biol., 15, 2020
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3G6S
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![BU of 3g6s by Molmil](/molmil-images/mine/3g6s) | Crystal structure of the endonuclease/exonuclease/phosphatase (BVU_0621) from Bacteroides vulgatus. Northeast Structural Genomics Consortium Target BvR56D | Descriptor: | Putative endonuclease/exonuclease/phosphatase family protein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Xiao, R, Sahdev, S, Foote, E.L, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-02-08 | Release date: | 2009-02-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the endonuclease/exonuclease/phosphatase (BVU_0621) from Bacteroides vulgatus. To be Published
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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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4U1G
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![BU of 4u1g by Molmil](/molmil-images/mine/4u1g) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1 | Descriptor: | QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-15 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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1AFV
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![BU of 1afv by Molmil](/molmil-images/mine/1afv) | HIV-1 CAPSID PROTEIN (P24) COMPLEX WITH FAB25.3 | Descriptor: | ANTIBODY FAB25.3 FRAGMENT (HEAVY CHAIN), ANTIBODY FAB25.3 FRAGMENT (LIGHT CHAIN), HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 CAPSID PROTEIN, ... | Authors: | Momany, C, Kovari, L.C, Prongay, A.J, Keller, W, Gitti, R.K, Lee, B.M, Gorbalenya, A.E, Tong, L, Mcclure, J, Ehrlich, L.S, Summers, M.F, Carter, C, Rossmann, M.G. | Deposit date: | 1997-03-14 | Release date: | 1997-08-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Crystal structure of dimeric HIV-1 capsid protein. Nat.Struct.Biol., 3, 1996
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7M5O
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![BU of 7m5o by Molmil](/molmil-images/mine/7m5o) | Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA | Descriptor: | CasPhi, ZINC ION, crRNA | Authors: | Pausch, P, Soczek, K, Nogales, E, Doudna, J. | Deposit date: | 2021-03-24 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | DNA interference states of the hypercompact CRISPR-Cas Phi effector. Nat.Struct.Mol.Biol., 28, 2021
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3FRZ
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![BU of 3frz by Molmil](/molmil-images/mine/3frz) | Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554 | Descriptor: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... | Authors: | Parge, H.E. | Deposit date: | 2009-01-08 | Release date: | 2009-03-10 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor. J.Med.Chem., 52, 2009
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3FXB
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![BU of 3fxb by Molmil](/molmil-images/mine/3fxb) | Crystal structure of the ectoine-binding protein UehA | Descriptor: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, TRAP dicarboxylate transporter, DctP subunit | Authors: | Lecher, J, Pittelkow, M, Bursy, J, Smits, S.H.J, Schmitt, L, Bremer, E. | Deposit date: | 2009-01-20 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of UehA in complex with ectoine-A comparison with other TRAP-T binding proteins. J.Mol.Biol., 389, 2009
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1A1H
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![BU of 1a1h by Molmil](/molmil-images/mine/1a1h) | QGSR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCAC SITE) | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3'), QGSR ZINC FINGER PEPTIDE, ... | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | Deposit date: | 1997-12-10 | Release date: | 1998-06-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition. Structure, 6, 1998
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3FZC
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![BU of 3fzc by Molmil](/molmil-images/mine/3fzc) | OXA-24 beta-lactamase complex with SA3-53 inhibitor | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | Authors: | Romero, A, Santillana, E. | Deposit date: | 2009-01-24 | Release date: | 2010-02-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
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1A1R
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![BU of 1a1r by Molmil](/molmil-images/mine/1a1r) | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | Descriptor: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | Authors: | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | Deposit date: | 1997-12-15 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide. Cell(Cambridge,Mass.), 87, 1996
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6U4X
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![BU of 6u4x by Molmil](/molmil-images/mine/6u4x) | Crystal structure of Equine Serum Albumin complex with ibuprofen | Descriptor: | IBUPROFEN, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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2Q20
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![BU of 2q20 by Molmil](/molmil-images/mine/2q20) | |
7MRW
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![BU of 7mrw by Molmil](/molmil-images/mine/7mrw) | Native RhopH complex of the malaria parasite Plasmodium falciparum | Descriptor: | Cytoadherence linked asexual protein 3.1, High molecular weight rhoptry protein 2, High molecular weight rhoptry protein 3 | Authors: | Ho, C.M, Jih, J, Lai, M, Li, X.R, Goldberg, D.E, Beck, J.R, Zhou, Z.H. | Deposit date: | 2021-05-10 | Release date: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Native structure of the RhopH complex, a key determinant of malaria parasite nutrient acquisition. Proc.Natl.Acad.Sci.USA, 118, 2021
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6U32
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![BU of 6u32 by Molmil](/molmil-images/mine/6u32) | |
2PFS
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![BU of 2pfs by Molmil](/molmil-images/mine/2pfs) | Crystal structure of universal stress protein from Nitrosomonas europaea | Descriptor: | CHLORIDE ION, Universal stress protein | Authors: | Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-05 | Release date: | 2007-05-08 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and functional insight into the universal stress protein family. Evol Appl, 6, 2013
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6U95
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![BU of 6u95 by Molmil](/molmil-images/mine/6u95) | Adeno-associated virus strain AAVhu.37 capsid icosahedral structure | Descriptor: | Capsid protein VP1 | Authors: | Kaelber, J.T, Yost, S.A, Firlar, E, Mercer, A.C. | Deposit date: | 2019-09-06 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structure of the AAVhu.37 capsid by cryoelectron microscopy. Acta Crystallogr.,Sect.F, 76, 2020
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6UA3
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![BU of 6ua3 by Molmil](/molmil-images/mine/6ua3) | |
3FR4
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![BU of 3fr4 by Molmil](/molmil-images/mine/3fr4) | N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors | Descriptor: | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte | Authors: | Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T. | Deposit date: | 2009-01-08 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2PZU
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![BU of 2pzu by Molmil](/molmil-images/mine/2pzu) | |
2Q5G
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![BU of 2q5g by Molmil](/molmil-images/mine/2q5g) | Ligand binding domain of PPAR delta receptor in complex with a partial agonist | Descriptor: | Peroxisome proliferator-activated receptor delta, [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID | Authors: | Pettersson, I, Sauerberg, P, Johansson, E, Hoffman, I, Tari, L.W, Hunter, M.J, Nix, J. | Deposit date: | 2007-06-01 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of a partial PPARdelta agonist. Bioorg.Med.Chem.Lett., 17, 2007
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1A1I
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![BU of 1a1i by Molmil](/molmil-images/mine/1a1i) | RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCAC SITE) | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3'), RADR ZIF268 ZINC FINGER PEPTIDE, ... | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | Deposit date: | 1997-12-10 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition. Structure, 6, 1998
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1A1G
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![BU of 1a1g by Molmil](/molmil-images/mine/1a1g) | DSNR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE) | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), DSNR ZINC FINGER PEPTIDE, ... | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | Deposit date: | 1997-12-10 | Release date: | 1998-06-10 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition. Structure, 6, 1998
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1A1K
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![BU of 1a1k by Molmil](/molmil-images/mine/1a1k) | RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3'), RADR ZIF268 VARIANT, ... | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | Deposit date: | 1997-12-10 | Release date: | 1998-06-10 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition. Structure, 6, 1998
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