4KE0
 
 | | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | | Descriptor: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M, Li, V. | | Deposit date: | 2013-04-25 | | Release date: | 2013-07-03 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4H0F
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4GUT
 | | Crystal structure of LSD2-NPAC | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ... | | Authors: | Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. | | Deposit date: | 2012-08-29 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
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3TLU
 | | The GLIC pentameric Ligand-Gated Ion Channel Loop2-24' oxidized mutant in a locally-closed conformation (LC1 subtype) | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | | Deposit date: | 2011-08-30 | | Release date: | 2012-05-16 | | Last modified: | 2012-06-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
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3TOA
 | | Human MOF crystal structure with active site lysine partially acetylated | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ... | | Authors: | Yuan, H, Ding, E.C, Marmorstein, R. | | Deposit date: | 2011-09-04 | | Release date: | 2011-11-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
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3S6W
 | | Crystal structure of Tudor domain of human TDRD3 | | Descriptor: | ISOPROPYL ALCOHOL, Tudor domain-containing protein 3 | | Authors: | Liu, H.P, Xu, R.M. | | Deposit date: | 2011-05-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of TDRD3 and methyl-arginine binding characterization of TDRD3, SMN and SPF30
Plos One, 7, 2012
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3TJC
 | | Co-crystal structure of jak2 with thienopyridine 8 | | Descriptor: | 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Huang, X. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
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3TK8
 | | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei | | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2011-08-25 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei
TO BE PUBLISHED
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3TLW
 | | The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' oxidized mutant in a locally-closed conformation (LC2 subtype) | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | | Deposit date: | 2011-08-30 | | Release date: | 2012-05-16 | | Last modified: | 2012-06-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
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3TO6
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4LOL
 | | Crystal structure of mSting in complex with DMXAA | | Descriptor: | (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2013-07-12 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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4GX8
 | | Crystal structure of a DNA polymerase III alpha-epsilon chimera | | Descriptor: | CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | | Authors: | Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J. | | Deposit date: | 2012-09-04 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
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4HFI
 | | The GLIC pentameric Ligand-Gated Ion Channel at 2.4 A resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Corringer, P.J, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-02-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
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4GRB
 | | Casein kinase 2 (CK2) bound to inhibitor | | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | | Deposit date: | 2012-08-24 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
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3SAO
 | | The Siderocalin Ex-FABP functions through dual ligand specificities | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ... | | Authors: | Correnti, C, Strong, R.K, Clifton, M.C. | | Deposit date: | 2011-06-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011
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4GU1
 | | Crystal structure of LSD2 | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | | Authors: | Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. | | Deposit date: | 2012-08-29 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
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4LQD
 | | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry | | Descriptor: | GLYCEROL, Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Snyder, G.A, Smith, P, Jiang, J, Xiao, T.S. | | Deposit date: | 2013-07-17 | | Release date: | 2013-12-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry.
J.Biol.Chem., 289, 2014
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4GUU
 | | Crystal structure of LSD2-NPAC with tranylcypromine | | Descriptor: | Lysine-specific histone demethylase 1B, Putative oxidoreductase GLYR1, ZINC ION, ... | | Authors: | Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Xu, Y. | | Deposit date: | 2012-08-29 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
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4M8Q
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3TZU
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4MAN
 | | Bcl_2-Navitoclax Analog (with Indole) Complex | | Descriptor: | 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Park, C.H. | | Deposit date: | 2013-08-16 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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3U6Q
 | | MutM set 2 ApGo | | Descriptor: | DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*(CX2)P*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-04-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
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3U6E
 | | MutM set 1 TpGo | | Descriptor: | DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*AP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*TP*(8OG)P*GP*AP*(08Q)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-04-25 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
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3SAZ
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-03 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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4LVT
 | | Bcl_2-Navitoclax (ABT-263) Complex | | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2 | | Authors: | Park, C.H. | | Deposit date: | 2013-07-26 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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