4Q9M
 
 | | Crystal structure of UPPs in complex with FPP and an allosteric inhibitor | | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, CADMIUM ION, FARNESYL DIPHOSPHATE, ... | | Authors: | Liu, S, Qiu, X. | | Deposit date: | 2014-05-01 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase.
Protein Sci., 24, 2015
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4QDE
 | | Dcps in complex with covalent inhibitor | | Descriptor: | 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase | | Authors: | Liu, S. | | Deposit date: | 2014-05-13 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Dcps in complex with covalent inhibitors
To be Published
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4QG8
 | | crystal structure of PKM2-K305Q mutant | | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
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4PXQ
 | | Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B | | Authors: | Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
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4QLK
 | | Crystal structure of rice BGlu1 E176Q/Y341A mutant complexed with cellotetraose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | | Deposit date: | 2014-06-12 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants
Protein Sci., 23, 2014
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4QIR
 | | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-2-(pyridin-3-yl)ethylGlyP[CH2]Phe | | Descriptor: | 3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... | | Authors: | Nocek, B, Joachimiak, A, Berlicki, L, Vassiliou, S, Mucha, A. | | Deposit date: | 2014-06-01 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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4PWD
 | | Crystal structure of HIV-1 reverse transcriptase in complex with bulge-RNA/DNA and Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*U)-3', ... | | Authors: | Das, K, Martinez, S.E, Arnold, E. | | Deposit date: | 2014-03-19 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
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4QGE
 | | phosphodiesterase-9A in complex with inhibitor WYQ-C36D | | Descriptor: | MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... | | Authors: | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | | Deposit date: | 2014-05-22 | | Release date: | 2014-12-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
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4QH5
 | | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in phosphate buffer | | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Fourati, Z, Delarue, M, Sauguet, L. | | Deposit date: | 2014-05-26 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
Acta Crystallogr.,Sect.D, 2015
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4QII
 | | Crystal Structure of type II MenB from Mycobacteria tuberculosis | | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, Salicylyl CoA, TRIETHYLENE GLYCOL | | Authors: | Song, H.G, Tse, Y.S, Sung, H.P, Guo, Z.H. | | Deposit date: | 2014-05-31 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Ligand-dependent active-site closure revealed in the crystal structure of Mycobacterium tuberculosis MenB complexed with product analogues
Acta Crystallogr.,Sect.D, 70, 2014
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4QKM
 | | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2014-06-06 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4QKL
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4QG9
 | | crystal structure of PKM2-R399E mutant | | Descriptor: | ACETATE ION, MAGNESIUM ION, Pyruvate kinase PKM | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
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4QHD
 | | Crystal structure of apo human APE1 | | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase | | Authors: | He, H, Chen, Q, Georgiadis, M.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-11-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
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4QIM
 | | Structure of the human smoothened receptor in complex with ANTA XV | | Descriptor: | 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION | | Authors: | Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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4QIQ
 | | Crystal structure of D-xylose-proton symporter | | Descriptor: | D-xylose-proton symporter, ZINC ION | | Authors: | Wisedchaisri, G, Park, M, Iadanza, M.G, Zheng, H, Gonen, T. | | Deposit date: | 2014-06-01 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE.
Nat Commun, 5, 2014
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4QHT
 | | Crystal structure of AAA+/ sigma 54 activator domain of the flagellar regulatory protein FlrC from Vibrio cholerae in ATP analog bound state | | Descriptor: | 1,2-ETHANEDIOL, Flagellar regulatory protein C, MAGNESIUM ION, ... | | Authors: | Dey, S, Biswas, M, Sen, U, Dasgupta, J. | | Deposit date: | 2014-05-29 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.559 Å) | | Cite: | Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC
J.Biol.Chem., 290, 2015
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4QIN
 | | Structure of the human smoothened receptor in complex with SAG1.5 | | Descriptor: | 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein | | Authors: | Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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4QPE
 | | Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid | | Descriptor: | Aminopeptidase N, SULFATE ION, ZINC ION, ... | | Authors: | Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A. | | Deposit date: | 2014-06-23 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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4QLJ
 | | Crystal structure of rice BGlu1 E386G/Y341A/Q187A mutant complexed with cellotetraose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | | Deposit date: | 2014-06-12 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants
Protein Sci., 23, 2014
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4QH9
 | | Crystal structure of Mn2+ bound human APE1 | | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase, MANGANESE (II) ION | | Authors: | Chen, Q, He, H, Georgiadis, M.M. | | Deposit date: | 2014-05-27 | | Release date: | 2014-11-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.175 Å) | | Cite: | High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
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4QHP
 | | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(4-CH2NH2) | | Descriptor: | (2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, (2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, ... | | Authors: | Nocek, B, Joachimiak, A. | | Deposit date: | 2014-05-28 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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4PAB
 | | Crystal structure of the precursor form of rat DMGDH complexed with tetrahydrofolate | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, Dimethylglycine dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Folate in demethylation: The crystal structure of the rat dimethylglycine dehydrogenase complexed with tetrahydrofolate.
Biochem.Biophys.Res.Commun., 449, 2014
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4P7C
 | | Crystal structure of putative methyltransferase from Pseudomonas syringae pv. tomato | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, tRNA (mo5U34)-methyltransferase | | Authors: | Chang, C, Mack, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-03-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of putative methyltransferase from Pseudomonas syringae pv. tomato
To Be Published
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4PAA
 | | Crystal structure of the mature form of rat DMGDH complexed with tetrahydrofolate | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, Dimethylglycine dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Folate in demethylation: The crystal structure of the rat dimethylglycine dehydrogenase complexed with tetrahydrofolate.
Biochem.Biophys.Res.Commun., 449, 2014
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