3VAK
 
 | | Structure of U2AF65 variant with BrU5 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ... | | Authors: | Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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3VGK
 | | Crystal structure of a ROK family glucokinase from Streptomyces griseus | | Descriptor: | Glucokinase, SULFATE ION, ZINC ION | | Authors: | Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
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3EKJ
 | | Calcium-free GCaMP2 (calcium binding deficient mutant) | | Descriptor: | Myosin light chain kinase, Green fluorescent protein, Calmodulin chimera | | Authors: | Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2008-09-19 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
J.Biol.Chem., 284, 2009
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3VL6
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3EON
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4Q9J
 | | P-glycoprotein cocrystallised with QZ-Val | | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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3EMC
 | | Crystal structure of XynB, an intracellular xylanase from Paenibacillus barcinonensis | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Endo-1,4-beta-xylanase | | Authors: | Sanz-Aparicio, J, Isorna, P, Gonzalez, B. | | Deposit date: | 2008-09-24 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution.
J.Biol.Chem., 285, 2010
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4Q71
 | | Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | | Authors: | Tanner, J.J, Luo, M, Pemberton, T.A. | | Deposit date: | 2014-04-23 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
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3VFF
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4Q9H
 | | P-glycoprotein at 3.4 A resolution | | Descriptor: | Multidrug resistance protein 1A | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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3ENE
 | | Complex of PI3K gamma with an inhibitor | | Descriptor: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
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3VOP
 | | Structure of Vaccinia virus A27 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein A27 | | Authors: | Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J. | | Deposit date: | 2012-01-31 | | Release date: | 2013-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein.
Plos Pathog., 9, 2013
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3VPM
 | | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | | Deposit date: | 2012-03-05 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
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4QAS
 | | 1.27 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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3EL4
 | | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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3EOO
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3VO8
 | | Staphylococcus aureus FtsZ GDP-form | | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Matsui, T, Mogi, N, Yao, M, Tanaka, I. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3VSX
 | | Human renin in complex with compound 18 | | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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4PXB
 | | The crystal structure of AtUAH in complex with (S)-ureidoglycolate | | Descriptor: | (2S)-(carbamoylamino)(hydroxy)ethanoic acid, MANGANESE (II) ION, Ureidoglycolate hydrolase | | Authors: | Shin, I, Rhee, S. | | Deposit date: | 2014-03-23 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
J.Mol.Biol., 426, 2014
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3FPO
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4QNE
 | | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with NAD and IMP | | Descriptor: | INOSINIC ACID, Inosine 5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-06-17 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with NAD and IMP
To be Published
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4PZV
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2014-03-31 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
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3VWR
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
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4PW0
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4Q09
 | | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-04-01 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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