4CAW
 
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | | Descriptor: | 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | Deposit date: | 2013-10-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
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3QZU
 | | Crystal structure of Bacillus subtilis Lipase A 7-fold mutant; the outcome of directed evolution towards thermostability | | Descriptor: | CHLORIDE ION, GLYCEROL, Lipase estA, ... | | Authors: | Pijning, T, Augustyniak, W, Reetz, M.T, Dijkstra, B.W. | | Deposit date: | 2011-03-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: Factors contributing to increased activity retention.
Protein Sci., 21, 2012
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4KR3
 | | Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly | | Descriptor: | GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ... | | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.235 Å) | | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
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4KR2
 | | Glycyl-tRNA synthetase in complex with tRNA-Gly | | Descriptor: | ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase | | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.292 Å) | | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
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4KRZ
 | | Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi | | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-05-17 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
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3RSS
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3RTC
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD and ATP. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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4KT8
 | | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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4EHM
 | | RabGGTase in complex with covalently bound Psoromic acid | | Descriptor: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W. | | Deposit date: | 2012-04-02 | | Release date: | 2012-05-30 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase
J.Am.Chem.Soc., 134, 2012
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3THY
 | | Human MutSbeta complexed with an IDL of 2 bases (Loop2) and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop2 minus strand, DNA Loop2 plus strand, ... | | Authors: | Yang, W. | | Deposit date: | 2011-08-19 | | Release date: | 2011-12-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Mechanism of mismatch repair revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
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4IBK
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4II1
 | | Crystal structure of the zinc finger of ZGPAT | | Descriptor: | UNKNOWN ATOM OR ION, ZINC ION, Zinc finger CCCH-type with G patch domain-containing protein | | Authors: | Bian, C, Tempel, W, Dong, A, Chao, X, Fu, M, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-19 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the zinc finger of ZGPAT
to be published
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4IIN
 | | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+ | | Descriptor: | 3-ketoacyl-acyl carrier protein reductase (FabG), ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-20 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
To be Published
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4IJF
 | | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant | | Descriptor: | Polymerase cofactor VP35 | | Authors: | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | | Deposit date: | 2012-12-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
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4K66
 | | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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3TJT
 | | Crystal Structure Analysis of the superoxide dismutase from Clostridium difficile | | Descriptor: | FE (III) ION, Superoxide dismutase | | Authors: | Li, W, Lei, C, Ying, T.L, Wang, H.F, Tan, X.S. | | Deposit date: | 2011-08-25 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Crystal Structure of the superoxide dismutase from Clostridium difficile
To be Published
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3TKL
 | | Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | | Authors: | Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L. | | Deposit date: | 2011-08-27 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state
Plos Pathog., 8, 2012
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4IH2
 | | Crystal structure of kirola (Act d 11) from crystal soaked with 2-aminopurine | | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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3TL2
 | | Crystal structure of Bacillus anthracis str. Ames malate dehydrogenase in closed conformation. | | Descriptor: | 1,2-ETHANEDIOL, Malate dehydrogenase, THIOCYANATE ION | | Authors: | Blus, B.J, Chruszcz, M, Tkaczuk, K.L, Osinski, T, Cymborowski, M, Kudritska, M, Grimshaw, S, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-08-29 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Bacillus anthracis str. Ames malate dehydrogenase in closed conformation.
TO BE PUBLISHED
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4IHP
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I.E, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, C.K, Shokat, K.M, Sibley, L.D, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-19 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
TO BE PUBLISHED
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4KOT
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefotaxime | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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4KOX
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin | | Descriptor: | 1,2-ETHANEDIOL, CEPHALOTHIN, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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4E9B
 | | Structure of Peptide Deformylase form Helicobacter Pylori in complex with actinonin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACTINONIN, COBALT (II) ION, ... | | Authors: | Cui, K, Zhu, L, Lu, W, Huang, J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-04-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
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4IBC
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.745 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4ECS
 | | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 80 sec | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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