3FAJ
 
 | | Structure of the structural protein P131 of the archaeal virus Acidianus Two-tailed virus (ATV) | | Descriptor: | CHLORIDE ION, Putative uncharacterized protein | | Authors: | Goulet, A, Vestergaard, G, Scheele, U, Campanacci, V, Garrett, R.A, Cambillau, C. | | Deposit date: | 2008-11-17 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the structural protein P131 of the archaeal virus Acidianus Two-tailed virus (ATV)
To be Published
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6FB8
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4Y7Y
 | | Yeast 20S proteasome in complex with Ac-LAA-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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1FZC
 | | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F. | | Deposit date: | 1998-05-19 | | Release date: | 1998-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of fragment double-D from human fibrin with two different bound ligands.
Biochemistry, 37, 1998
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1G04
 | | SOLUTION STRUCTURE OF SYNTHETIC 26-MER PEPTIDE CONTAINING 145-169 SHEEP PRION PROTEIN SEGMENT AND C-TERMINAL CYSTEINE | | Descriptor: | MAJOR PRION PROTEIN | | Authors: | Kozin, S.A, Bertho, G, Mazur, A.K, Rabesona, H, Girault, J.-P, Haertle, T, Takahashi, M, Debey, P, Hui Bon Hoa, G. | | Deposit date: | 2000-10-05 | | Release date: | 2002-01-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution.
J.Biol.Chem., 276, 2001
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3JB4
 | | Structure of Ljungan virus: insight into picornavirus packaging | | Descriptor: | VP0, VP1, VP3 | | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | | Deposit date: | 2015-07-21 | | Release date: | 2015-10-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
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3FYN
 | | Crystal structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3 | | Descriptor: | ACETATE ION, Integron gene cassette protein HFX_CASS3, MAGNESIUM ION | | Authors: | Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-22 | | Release date: | 2009-02-10 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3
To be Published
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2CG9
 | | Crystal structure of an Hsp90-Sba1 closed chaperone complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CO-CHAPERONE PROTEIN SBA1 | | Authors: | Ali, M.M.U, Roe, S.M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2006-03-01 | | Release date: | 2006-04-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of an Hsp90-Nucleotide-P23/Sba1 Closed Chaperone Complex
Nature, 440, 2006
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1FZD
 | | STRUCTURE OF RECOMBINANT ALPHAEC DOMAIN FROM HUMAN FIBRINOGEN-420 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Spraggon, G, Applegate, D, Everse, S.J, Zhang, J.-Z, Veerapandian, L, Redman, C, Doolittle, R.F, Grieninger, G. | | Deposit date: | 1998-06-22 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a recombinant alphaEC domain from human fibrinogen-420.
Proc.Natl.Acad.Sci.USA, 95, 1998
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6FMJ
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Soares, P, Lucas, X, Ciulli, A. | | Deposit date: | 2018-01-31 | | Release date: | 2018-04-11 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
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6FXJ
 | | Structure of coproheme decarboxylase from Listeria monocytogenes in complex with iron coproporphyrin III | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, CHLORIDE ION, N-PROPANOL, ... | | Authors: | Hofbauer, S, Pfanzagl, V, Mlynek, G. | | Deposit date: | 2018-03-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
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8E76
 | | Cryo-EM structure of Apo form ME3 | | Descriptor: | NADP-dependent malic enzyme, mitochondrial | | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | Deposit date: | 2022-08-23 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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8E8O
 | | Cryo-EM structure of human ME3 in the presence of citrate | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial | | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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8E78
 | | Cryo-EM structure of human ME3 in the presence of citrate | | Descriptor: | NADP-dependent malic enzyme, mitochondrial | | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | Deposit date: | 2022-08-23 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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7LME
 | | SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide | | Descriptor: | 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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6FMK
 | | pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4) | | Descriptor: | Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ... | | Authors: | Soares, P, Lucas, X, Ciulli, A. | | Deposit date: | 2018-01-31 | | Release date: | 2018-04-11 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
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1FZF
 | | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH THE PEPTIDE LIGAND GLY-HIS-ARG-PRO-AMIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN | | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F. | | Deposit date: | 1998-12-28 | | Release date: | 1999-06-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.
Biochemistry, 38, 1999
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7JYS
 | | hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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3JCA
 | | Core model of the Mouse Mammary Tumor Virus intasome | | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ... | | Authors: | Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N. | | Deposit date: | 2015-11-24 | | Release date: | 2016-02-17 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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3FXH
 | | Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS2 | | Descriptor: | Integron gene cassette protein HFX_CASS2 | | Authors: | Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Chang, C, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-20 | | Release date: | 2009-02-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.837 Å) | | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites.
Plos One, 8, 2013
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8DZ8
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7JYR
 | | hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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6FUD
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1O7O
 | | Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K. | | Deposit date: | 2002-11-11 | | Release date: | 2003-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
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3G5N
 | | Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | | Deposit date: | 2009-02-05 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
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