6H9B
| 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation | Descriptor: | 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Varela, P.F, Gigant, B. | Deposit date: | 2018-08-03 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation. J. Med. Chem., 62, 2019
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8DFU
| Cryo-EM structure of conjugation pili from Aeropyrum pernix | Descriptor: | (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate, Pilin protein | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-06-22 | Release date: | 2023-03-22 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery. Nat Commun, 14, 2023
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8DFT
| Cryo-EM structure of conjugative pili from Pyrobaculum calidifontis | Descriptor: | Pilin protein, [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-06-22 | Release date: | 2023-03-22 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery. Nat Commun, 14, 2023
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2W96
| Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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8DFM
| Ectodomain of full-length wild-type KIT-SCF dimers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Mast/stem cell growth factor receptor Kit, ... | Authors: | Krimmer, S.G, Bertoletti, N, Mi, W, Schlessinger, J. | Deposit date: | 2022-06-22 | Release date: | 2023-03-29 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention. Proc.Natl.Acad.Sci.USA, 120, 2023
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6HHF
| Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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8DFQ
| Ectodomain of full-length KIT(T417I,delta418-419)-SCF dimers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Mast/stem cell growth factor receptor Kit, ... | Authors: | Krimmer, S.G, Bertoletti, N, Mi, W, Schlessinger, J. | Deposit date: | 2022-06-22 | Release date: | 2023-03-29 | Last modified: | 2024-10-30 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention. Proc.Natl.Acad.Sci.USA, 120, 2023
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5UZ4
| The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly | Descriptor: | 16S RIBOSOMAL RNA, 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, 30S ribosomal protein S10, ... | Authors: | Razi, A, Guarne, A, Ortega, J. | Deposit date: | 2017-02-24 | Release date: | 2017-04-19 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V61
| Phospho-ERK2 bound to bivalent inhibitor SBP2 | Descriptor: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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5V19
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5V8F
| Structural basis of MCM2-7 replicative helicase loading by ORC-Cdc6 and Cdt1 | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (39-MER), ... | Authors: | Yuan, Z, Riera, A, Bai, L, Sun, J, Spanos, C, Chen, Z.A, Barbon, M, Rappsilber, J, Stillman, B, Speck, C, Li, H. | Deposit date: | 2017-03-21 | Release date: | 2017-05-10 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of Mcm2-7 replicative helicase loading by ORC-Cdc6 and Cdt1. Nat. Struct. Mol. Biol., 24, 2017
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2VPO
| High resolution structure of the periplasmic binding protein TeaA from TeaABC TRAP transporter of Halomonas elongata in complex with hydroxyectoine | Descriptor: | (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, MAGNESIUM ION, PERIPLASMIC SUBSTRATE BINDING PROTEIN | Authors: | Kuhlmann, S.I, Terwisscha van Scheltinga, A.C, Bienert, R, Kunte, H.J, Ziegler, C. | Deposit date: | 2008-03-03 | Release date: | 2008-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.55 A Structure of the Ectoine Binding Protein Teaa of the Osmoregulated Trap-Transporter Teaabc from Halomonas Elongata. Biochemistry, 47, 2008
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2W8M
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2V9V
| Crystal Structure of Moorella thermoacetica SelB(377-511) | Descriptor: | CHLORIDE ION, SELENOCYSTEINE-SPECIFIC ELONGATION FACTOR, SODIUM ION | Authors: | Ganichkin, O, Wahl, M.C. | Deposit date: | 2007-08-27 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Conformational Switches in Winged-Helix Domains 1 and 2 of Bacterial Translation Elongation Factor Selb. Acta Crystallogr.,Sect.D, 63, 2007
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6HMO
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2VJD
| Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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5VVK
| Cas1-Cas2 bound to full-site mimic | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*CP*CP*AP*CP*CP*AP*GP*TP*G)-3'), ... | Authors: | Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A. | Deposit date: | 2017-05-19 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the CRISPR genome integration complex. Science, 357, 2017
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5VVJ
| Cas1-Cas2 bound to half-site intermediate | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (112-MER), ... | Authors: | Wright, A.V, Knott, G.J, Doxzen, K.W, Doudna, J.A. | Deposit date: | 2017-05-19 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Structures of the CRISPR genome integration complex. Science, 357, 2017
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2V96
| Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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5VYU
| Crystal structure of the WbkC N-formyltransferase from Brucella melitensis in complex with GDP-perosaminea and N-10-formyltetrahydrofolate | Descriptor: | GDP-perosamine, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ... | Authors: | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-05-26 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis. Biochemistry, 56, 2017
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5W0G
| Structure of U2AF65 (U2AF2) RRM1 at 1.07 resolution | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, Splicing factor U2AF 65 kDa subunit, ... | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2017-05-30 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs. Biochemistry, 56, 2017
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2VJA
| Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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5W35
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5W6O
| Choline Kinase Alpha in Complex with TCD-717 | Descriptor: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kall, S.K, Lavie, A. | Deposit date: | 2017-06-16 | Release date: | 2018-02-14 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha. Biochemistry, 57, 2018
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5VYR
| Crystal structure of the WbkC formyl transferase from Brucella melitensis | Descriptor: | (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-05-26 | Release date: | 2017-07-05 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis. Biochemistry, 56, 2017
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