2RIG
 
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4ZDN
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS4 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION | | Authors: | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-04-17 | | Release date: | 2015-05-13 | | Last modified: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3QCQ
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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4CD2
 | | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F. | | Deposit date: | 1999-03-18 | | Release date: | 2000-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
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4ZM6
 | | A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase | | Descriptor: | ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION | | Authors: | Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R. | | Deposit date: | 2015-05-02 | | Release date: | 2015-12-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase
Sci Rep, 5, 2015
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3QCY
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | | Descriptor: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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4ZPV
 | | Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
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2SHK
 | | THE THREE-DIMENSIONAL STRUCTURE OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI COMPLEXED WITH ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SHIKIMATE KINASE | | Authors: | Krell, T, Coggins, J.R, Lapthorn, A.J. | | Deposit date: | 1997-10-27 | | Release date: | 1998-11-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallization and preliminary X-ray crystallographic analysis of shikimate kinase from Erwinia chrysanthemi.
Acta Crystallogr.,Sect.D, 53, 1997
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3QCX
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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4ZIU
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning the residues from domain MG7 to the C-terminus. | | Descriptor: | GLYCEROL, NICKEL (II) ION, Uncharacterized lipoprotein YfhM | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZPW
 | | Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein | | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2015-05-08 | | Release date: | 2015-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.023 Å) | | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
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4B8V
 | | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | | Deposit date: | 2012-08-30 | | Release date: | 2013-07-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Elife, 2, 2013
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2HZ8
 | | QM/MM structure refined from NMR-structure of a single chain diiron protein | | Descriptor: | De novo designed diiron protein, ZINC ION | | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | | Deposit date: | 2006-08-08 | | Release date: | 2007-07-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
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4YAR
 | | 2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H | | Descriptor: | 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2015-02-17 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase.
J.Am.Chem.Soc., 137, 2015
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4B6W
 | | Architecture of Trypanosoma brucei Tubulin-Binding cofactor B | | Descriptor: | 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE | | Authors: | Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N. | | Deposit date: | 2012-08-15 | | Release date: | 2012-08-22 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
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4BUP
 | | A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases | | Descriptor: | GLYCEROL, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1, S-ADENOSYLMETHIONINE, ... | | Authors: | Southall, S.M, Cronin, N.B, Wilson, J.R. | | Deposit date: | 2013-06-21 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.166 Å) | | Cite: | A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
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4ZJH
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains NIE-MG1. | | Descriptor: | ACETATE ION, GLYCEROL, alpha-2-Macroglobulin | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3ZV8
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3ZVF
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85 | | Descriptor: | 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3ZV9
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74 | | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3ZVE
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 | | Descriptor: | 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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1DQU
 | | CRYSTAL STRUCTURE OF THE ISOCITRATE LYASE FROM ASPERGILLUS NIDULANS | | Descriptor: | ISOCITRATE LYASE | | Authors: | Britton, K.L, Langridge, S.J, Baker, P.J, Weeradechapon, K, Sedelnikova, S.E, De Lucas, J.R, Rice, D.W, Turner, G. | | Deposit date: | 2000-01-05 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure and active site location of isocitrate lyase from the fungus Aspergillus nidulans.
Structure Fold.Des., 8, 2000
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4BZ4
 | | CorA is a surface-associated copper-binding protein important in Methylomicrobium album BG8 copper acquisition | | Descriptor: | CALCIUM ION, COPPER (I) ION, COPPER-REPRESSIBLE POLYPEPTIDE, ... | | Authors: | Johnson, K.A, Ve, T, Pedersen, R.B, Lillehaug, J.R, Jensen, H.B, Helland, R, Karlsen, O.A. | | Deposit date: | 2013-07-24 | | Release date: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cora is a Copper Repressible Surface-Associated Copper(I)-Binding Protein Produced in Methylomicrobium Album Bg8.
Plos One, 9, 2014
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4C3U
 | | Extensive counter-ion interactions with subtilisin in aqueous medium, Cs derivative | | Descriptor: | CALCIUM ION, CESIUM ION, CHLORIDE ION, ... | | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | | Deposit date: | 2013-08-27 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium
Rsc Adv, 2014
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4Y76
 | | Factor Xa complex with GTC000401 | | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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