4EHR
 
 | | Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide | | Descriptor: | 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE | | Authors: | Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M. | | Deposit date: | 2012-04-03 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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4EHS
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4EHT
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4EHU
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4EHV
 | | Human p38 MAP kinase in complex with NP-F10 and RL87 | | Descriptor: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-04 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EHW
 | | Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase | | Authors: | Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H. | | Deposit date: | 2012-04-04 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4EHX
 | | Crystal structure of LpxK from Aquifex aeolicus at 1.9 angstrom resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H. | | Deposit date: | 2012-04-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4EHY
 | | Crystal structure of LpxK from Aquifex aeolicus in complex with ADP/Mg2+ at 2.2 angstrom resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H. | | Deposit date: | 2012-04-04 | | Release date: | 2012-08-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4EHZ
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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4EI0
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4EI2
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4EI4
 | | JAK1 kinase (JH1 domain) in complex with compound 20 | | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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4EI5
 | | Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1 | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Patel, O, Gras, S, Rossjohn, J. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-25 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
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4EI6
 | | Structure of XV19 Valpha1-Vbeta16 Type-II Natural Killer T cell receptor | | Descriptor: | Valpha1 XV19 Type II Natural Killer T cell receptor (mouse variable domain, human constant domain), Vbeta16 XV19 Type II Natural Killer T cell receptor (mouse variable domain | | Authors: | Patel, O, Rossjohn, J. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
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4EI7
 | | Crystal structure of Bacillus cereus TubZ, GDP-form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX | | Authors: | Hayashi, I, Hoshino, S. | | Deposit date: | 2012-04-05 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
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4EI8
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4EI9
 | | Crystal structure of Bacillus cereus TubZ, GTP-form | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX | | Authors: | Hayashi, I, Hoshino, S. | | Deposit date: | 2012-04-05 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
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4EIA
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4EIB
 | | Crystal Structure of Circular Permuted CBM21 (CP90) Gives Insight into the Altered Selectivity on Carbohydrate Binding. | | Descriptor: | ACETATE ION, AMMONIUM ION, CHLORIDE ION, ... | | Authors: | Stephen, P, Cheng, K.C, Lyu, P.C. | | Deposit date: | 2012-04-05 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of circular permuted RoCBM21 (CP90): dimerisation and proximity of binding sites
Plos One, 7, 2012
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4EIC
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4EID
 | | Crystal structure of cytochrome c6 Q57V mutant from Synechococcus sp. PCC 7002 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C | | Authors: | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
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4EIE
 | | Crystal structure of cytochrome c6C from Synechococcus sp. PCC 7002 | | Descriptor: | CHLORIDE ION, Cytochrome c6, HEME C, ... | | Authors: | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
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4EIF
 | | Crystal structure of cytochrome c6C L50Q mutant from Synechococcus sp. PCC 7002 | | Descriptor: | CHLORIDE ION, Cytochrome c6, HEME C, ... | | Authors: | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
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4EIG
 | | CA1698 camel antibody fragment in complex with DHFR | | Descriptor: | CA1698 camel antibody fragment, Dihydrofolate reductase | | Authors: | Oyen, D, Srinivasan, V. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
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4EIH
 | | Crystal structure of Arg SH2 domain | | Descriptor: | Abelson tyrosine-protein kinase 2, CHLORIDE ION | | Authors: | Liu, W, MacGrath, S.M, Koleske, A.J, Boggon, T.J. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Two Amino Acid Residues Confer Different Binding Affinities of Abelson Family Kinase Src Homology 2 Domains for Phosphorylated Cortactin.
J.Biol.Chem., 289, 2014
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