4OQJ
 
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1 | | Descriptor: | GLYCEROL, PHOSPHATE ION, PKS, ... | | Authors: | Nocek, B, Mack, J, Endras, M, Babnigg, G, 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: | 2014-02-09 | | Release date: | 2014-03-19 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (1.904 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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1C94
 | | REVERSING THE SEQUENCE OF THE GCN4 LEUCINE ZIPPER DOES NOT AFFECT ITS FOLD. | | Descriptor: | RETRO-GCN4 LEUCINE ZIPPER | | Authors: | Mittl, P.R.E, Deillon, C.A, Sargent, D, Liu, N, Klauser, S, Thomas, R.M, Gutte, B, Gruetter, M.G. | | Deposit date: | 1999-07-30 | | Release date: | 2000-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure.
Proc.Natl.Acad.Sci.USA, 97, 2000
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3OZ4
 | | R-Methyl Carbocyclic LNA | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3') | | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | | Deposit date: | 2010-09-24 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
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2RGZ
 | | Ensemble refinement of the protein crystal structure of human heme oxygenase-2 C127A (HO-2) with bound heme | | Descriptor: | Heme oxygenase 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bianchetti, C.M, Bingman, C.A, Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-10-05 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2.
J.Biol.Chem., 282, 2007
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3SAY
 | | Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142 | | Descriptor: | (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, ... | | Authors: | Mazanetz, M.P, Cheng, R.K.Y, Rowan, F, Laughton, C.A, Barker, J.J, Fischer, P.M. | | Deposit date: | 2011-06-03 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
To be Published
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3OZ5
 | | S-Methyl Carbocyclic LNA | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE | | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | | Deposit date: | 2010-09-24 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
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4QYR
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 | | Descriptor: | ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, J, 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: | 2014-07-25 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.902 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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2H0H
 | | Crystal Structure of DsbG K113E mutant | | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | | Authors: | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
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2H0G
 | | Crystal Structure of DsbG T200M mutant | | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | | Authors: | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
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2I6Q
 | | Complement component C2a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ... | | Authors: | Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | | Deposit date: | 2006-08-29 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
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3LEZ
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3VBG
 | | Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443 | | Descriptor: | (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Lukacs, C.M, Janson, C.A, Graves, B.J. | | Deposit date: | 2012-01-02 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2IV2
 | | Reinterpretation of reduced form of formate dehydrogenase H from E. coli | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase H, GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER, ... | | Authors: | Raaijmakers, H.C.A, Romao, M.J. | | Deposit date: | 2006-06-08 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Formate-Reduced E. Coli Formate Dehydrogenase H: The Reinterpretation of the Crystal Structure Suggests a New Reaction Mechanism.
J.Biol.Inorg.Chem., 11, 2006
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7O4H
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2I6S
 | | Complement component C2a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ... | | Authors: | Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | | Deposit date: | 2006-08-29 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
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4JRG
 | | The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor | | Descriptor: | (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Graves, B.J, Janson, C.A, Lukacs, C. | | Deposit date: | 2013-03-21 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
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2O33
 | | Solution structure of U2 snRNA stem I from S. cerevisiae | | Descriptor: | U2 snRNA | | Authors: | Sashital, D.G, Venditti, V, Angers, C.A, Cornilescu, G, Butcher, S.E. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure and thermodynamics of a conserved U2 snRNA domain from yeast and human.
Rna, 13, 2007
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7OCY
 | | Enterococcus faecalis EfrCD in complex with a nanobody | | Descriptor: | ABC transporter ATP-binding protein, Nanobody | | Authors: | Ehrenbolger, K, Hutter, C.A.J, Meier, G, Seeger, M.A, Barandun, J. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Deep mutational scan of a drug efflux pump reveals its structure-function landscape.
Nat.Chem.Biol., 19, 2023
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7PAZ
 | | REDUCED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | | Authors: | Adman, E.T, Libeu, C.A.P. | | Deposit date: | 1997-02-21 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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7P77
 | | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up conformation | | 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-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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7P7A
 | | SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible conformation | | 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-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (4.76 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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7P78
 | | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down conformation | | 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-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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7P79
 | | SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down conformation. | | 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-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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7P7B
 | | SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation | | Descriptor: | Spike glycoprotein | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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4JSC
 | | The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor | | Descriptor: | (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Janson, C.A, Lukacs, C, Graves, B. | | Deposit date: | 2013-03-22 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
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