4TTH
 
 | | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | | Authors: | Piper, D.E, Walker, N, Wang, Z. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
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4TKX
 | | Structure of Protease | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, LEAD (II) ION, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2014-05-28 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the lysine specific protease Kgp from Porphyromonas gingivalis, a target for improved oral health.
Protein Sci., 24, 2015
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4TOE
 | | 2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa | | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | | Deposit date: | 2014-06-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
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4RYB
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4RMP
 | | Crystal structure of allophycocyanin from marine cyanobacterium Phormidium sp. A09DM | | Descriptor: | Allophycocyanin, PHYCOCYANOBILIN | | Authors: | Kumar, V, Gupta, G.D, Sonani, R.R, Madamwar, D. | | Deposit date: | 2014-10-22 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Crystal Structure of Allophycocyanin from Marine Cyanobacterium Phormidium sp. A09DM.
Plos One, 10, 2015
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4TOI
 | | Crystal structure of E.coli ribosomal protein S2 in complex with N-terminal domain of S1 | | Descriptor: | 30S ribosomal protein S2,Ribosomal protein S1, ZINC ION | | Authors: | Grishkovskaya, I, Byrgazov, K, Moll, I, Djinovic-Carugo, K. | | Deposit date: | 2014-06-05 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the interaction of protein S1 with the Escherichia coli ribosome.
Nucleic Acids Res., 43, 2015
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4RUE
 | | Human K2P4.1 (TRAAK) potassium channel, G124I mutant | | Descriptor: | POTASSIUM ION, Potassium channel subfamily K member 4 | | Authors: | Lolicato, M, Minor, D.L.Jr. | | Deposit date: | 2014-11-19 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Transmembrane Helix Straightening and Buckling Underlies Activation of Mechanosensitive and Thermosensitive K2P Channels.
Neuron, 84, 2014
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4S2C
 | | Covalent complex of E. coli transaldolase TalB with fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Transaldolase B | | Authors: | Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants.
Acta Crystallogr D Struct Biol, 72, 2016
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4TO9
 | | 2.0A resolution structure of BfrB (N148L) from Pseudomonas aeruginosa | | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | | Deposit date: | 2014-06-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
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4RZ4
 | | Fructose-6-phosphate aldolase Q59E Y131F from E.coli | | Descriptor: | CHLORIDE ION, Fructose-6-phosphate aldolase 1, PHOSPHATE ION, ... | | Authors: | Sandalova, T, Stellmacher, L, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | | Deposit date: | 2014-12-18 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
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4TOC
 | | 2.25A resolution structure of Iron Bound BfrB (Q151L) from Pseudomonas aeruginosa | | Descriptor: | Bacterioferritin, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | | Deposit date: | 2014-06-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
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4TQX
 | | Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone. | | Descriptor: | ACETIC ACID, SULFATE ION, Sortase, ... | | Authors: | Wallock-Richards, D.J, Marles-Wright, J, Clarke, D.J, Maitra, A, Dodds, M, Hanley, B, Campopiano, D.J. | | Deposit date: | 2014-06-12 | | Release date: | 2015-05-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Chem.Commun.(Camb.), 51, 2015
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4TS0
 | | Crystal structure of the Spinach RNA aptamer in complex with DFHBI, barium ions | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, BARIUM ION, POTASSIUM ION, ... | | Authors: | Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for activity of highly efficient RNA mimics of green fluorescent protein.
Nat.Struct.Mol.Biol., 21, 2014
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4TS6
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4TT6
 | | Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form | | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-19 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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4TTE
 | | Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate | | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-20 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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4RMH
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4ROF
 | | Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide | | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-10-28 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide
To be Published
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4RPI
 | | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase | | Authors: | Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A. | | Deposit date: | 2014-10-30 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
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4RMJ
 | | Human Sirt2 in complex with ADP ribose and nicotinamide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RSH
 | | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 | | Descriptor: | CHLORIDE ION, Lipolytic protein G-D-S-L family | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-07 | | Release date: | 2014-11-19 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
To be Published
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4TSA
 | | Structure of a lysozyme FAb complex | | Descriptor: | FAb Heavy Chain, FAb Light Chain, Lysozyme C | | Authors: | Wensley, B. | | Deposit date: | 2014-06-18 | | Release date: | 2015-07-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure of a lysozyme FAb complex
To Be Published
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4S2B
 | | Covalent complex of E. coli transaldolase TalB with tagatose-6-phosphate | | Descriptor: | 2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose, SULFATE ION, Transaldolase B | | Authors: | Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants.
Acta Crystallogr D Struct Biol, 72, 2016
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4RZ5
 | | Transaldolase B E96Q from E.coli | | Descriptor: | SULFATE ION, Transaldolase B | | Authors: | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | | Deposit date: | 2014-12-18 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
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4TLR
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | | Authors: | Chopra, R. | | Deposit date: | 2014-05-30 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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