6UAN
 
 | | B-Raf:14-3-3 complex | | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases.
Science, 366, 2019
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5E08
 | | Specific Recognition of a Single-stranded RNA Sequence by an Engineered Synthetic Antibody Fragment | | Descriptor: | Fab Heavy Chain, Fab Light Chain, RNA | | Authors: | Huang, H, Qin, D, Li, N, Shao, Y, Staley, J.P, Kossiakoff, A.A, Koide, S, Piccirilli, J.A. | | Deposit date: | 2015-09-28 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Specific Recognition of a Single-Stranded RNA Sequence by a Synthetic Antibody Fragment.
J.Mol.Biol., 428, 2016
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5E3B
 | | Structure of macrodomain protein from Streptomyces coelicolor | | Descriptor: | 1,2-ETHANEDIOL, Macrodomain protein, SODIUM ION | | Authors: | Lalic, J, Posavec Marjanovic, M, Perina, D, Sabljic, I, Zaja, R, Plese, B, Imesek, M, Bucca, G, Ahel, M, Cetkovic, H, Luic, M, Mikoc, A, Ahel, I. | | Deposit date: | 2015-10-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Disruption of Macrodomain Protein SCO6735 Increases Antibiotic Production in Streptomyces coelicolor.
J.Biol.Chem., 291, 2016
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5DWK
 | | Diacylglycerol Kinase solved by multi crystal multi orientation native SAD | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ... | | Authors: | Weinert, T, Olieric, V, Finke, A.D, Li, D, Caffrey, M, Wang, M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Data-collection strategy for challenging native SAD phasing.
Acta Crystallogr D Struct Biol, 72, 2016
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5DXT
 | | p110alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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5E7R
 | | Crystal structure of TL10-81 bound to TAK1-TAB1 | | Descriptor: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | | Deposit date: | 2015-10-13 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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1OB1
 | | Crystal structure of a Fab complex whith Plasmodium falciparum MSP1-19 | | Descriptor: | ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | | Authors: | Pizarro, J.C, Chitarra, V, Verger, D, Holm, I, Petres, S, Dartville, S, Nato, F, Longacre, S, Bentley, G.A. | | Deposit date: | 2003-01-22 | | Release date: | 2003-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of a Fab Complex Formed with Pfmsp1-19, the C-Terminal Fragment of Merozoite Surface Protein 1 from Plasmodium Falciparum: A Malaria Vaccine Candidate
J.Mol.Biol., 328, 2003
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1IMT
 | | MAMBA INTESTINAL TOXIN 1, NMR, 39 STRUCTURES | | Descriptor: | INTESTINAL TOXIN 1 | | Authors: | Boisbouvier, J, Albrand, J.-P, Blackledge, M, Jaquinod, M, Schweitz, H, Lazdunski, M, Marion, D. | | Deposit date: | 1998-04-14 | | Release date: | 1999-04-20 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | A structural homologue of colipase in black mamba venom revealed by NMR floating disulphide bridge analysis.
J.Mol.Biol., 283, 1998
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7TZJ
 | | SARS CoV-2 PLpro in complex with inhibitor 3k | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ... | | Authors: | Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
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5D4R
 | | Crystal Structure of AraR(DBD) in complex with operator ORE1 | | Descriptor: | Arabinose metabolism transcriptional repressor, DNA (5'-D(*AP*TP*AP*TP*TP*TP*GP*TP*AP*CP*GP*TP*AP*CP*TP*AP*AP*TP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*TP*AP*GP*TP*AP*CP*GP*TP*AP*CP*AP*AP*AP*TP*A)-3') | | Authors: | Jain, D, Narayanan, N, Nair, D.T. | | Deposit date: | 2015-08-08 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Plasticity in Repressor-DNA Interactions Neutralizes Loss of Symmetry in Bipartite Operators.
J.Biol.Chem., 291, 2016
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5D12
 | | Kinase domain of cSrc in complex with RL40 | | Descriptor: | N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Richters, A, Engel, J, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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7TXZ
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7TY0
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5D72
 | | Crystal structure of MOR04252, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | Descriptor: | DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-08-13 | | Release date: | 2015-10-14 | | Last modified: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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1M9U
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1J9Y
 | | Crystal structure of mannanase 26A from Pseudomonas cellulosa | | Descriptor: | MANNANASE A, ZINC ION | | Authors: | Hogg, D, Woo, E.-J, Bolam, D.N, McKie, V.A, Gilbert, H.J, Pickersgill, R.W. | | Deposit date: | 2001-05-29 | | Release date: | 2001-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of mannanase 26A from Pseudomonas cellulosa and analysis of residues involved in substrate binding
J.Biol.Chem., 276, 2001
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1JB8
 | | The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation | | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3' | | Authors: | Han, G.W, Kopka, M.L, Langs, D, Dickerson, R.E. | | Deposit date: | 2001-06-02 | | Release date: | 2003-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of an RNADNA hybrid reveals intermolecular
intercalation: Dimer formation by base-pair swapping
Proc.Natl.Acad.Sci.USA, 100, 2003
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1JBH
 | | Solution structure of cellular retinol binding protein type-I in the ligand-free state | | Descriptor: | CELLULAR RETINOL-BINDING PROTEIN TYPE I | | Authors: | Franzoni, L, Luecke, C, Perez, C, Cavazzini, D, Rademacher, M, Ludwig, C, Spisni, A, Rossi, G.L, Rueterjans, H. | | Deposit date: | 2001-06-04 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and backbone dynamics of Apo- and holo-cellular retinol-binding protein in solution.
J.Biol.Chem., 277, 2002
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1JAA
 | | Solution structure of lactam analogue (DapE) of HIV gp41 600-612 loop. | | Descriptor: | DapE : (Ace)IWG(Dap)SGKLIETTA ANALOGUE OF HIV GP41 | | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | Deposit date: | 2001-05-30 | | Release date: | 2003-07-01 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
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1JDH
 | | CRYSTAL STRUCTURE OF BETA-CATENIN AND HTCF-4 | | Descriptor: | BETA-CATENIN, hTcf-4 | | Authors: | Graham, T.A, Ferkey, D.M, Mao, F, Kimelman, D, Xu, W. | | Deposit date: | 2001-06-13 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tcf4 can specifically recognize beta-catenin using alternative conformations.
Nat.Struct.Biol., 8, 2001
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5DAJ
 | | Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | | Descriptor: | NalD | | Authors: | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2015-08-20 | | Release date: | 2016-04-20 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
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7TV9
 | | HUMAN COMPLEMENT COMPONENT C3B IN COMPLEX WITH APL-1030 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APL-1030 Nanofitin, Complement C3 beta chain, ... | | Authors: | Fontano, E, Nadupalli, A, Lakshminarasimhan, D, White, A, Garlish, J, Cinier, M, Chevrel, A, Perrocheau, A, Eyerman, D, Orme, M, Kitten, O, Scheibler, L. | | Deposit date: | 2022-02-04 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Discovery of APL-1030, a Novel, High-Affinity Nanofitin Inhibitor of C3-Mediated Complement Activation.
Biomolecules, 12, 2022
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1JB2
 | | CRYSTAL STRUCTURE OF NTF2 M84E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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1JBM
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1JC8
 | | Solution structure of lactam analogue (DDap) of gp41 600-612 loop of HIV | | Descriptor: | DDap: (ACE)IWGDSGKLI(DNP)TTA ANALOGUE OF HIV GP41 | | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | Deposit date: | 2001-06-08 | | Release date: | 2003-07-01 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
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