4HWY
 
 | | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | | Deposit date: | 2012-11-09 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
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1DPJ
 | | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | | Deposit date: | 1999-12-27 | | Release date: | 2000-05-03 | | Last modified: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Nat.Struct.Biol., 7, 2000
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7YWJ
 | | Crystal structure of an engineered TycA variant, TycA pPLA (L313P) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids.
J.Am.Chem.Soc., 144, 2022
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4P3Z
 | | Chlamydia pneumoniae CopN (D29 construct) | | Descriptor: | CopN, GLYCEROL, SULFATE ION | | Authors: | Nawrotek, A, Guimaraes, B.G, Knossow, M, Gigant, B. | | Deposit date: | 2014-03-10 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Biochemical and Structural Insights into Microtubule Perturbation by CopN from Chlamydia pneumoniae.
J.Biol.Chem., 289, 2014
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2A6Z
 | | Crystal structure of Emp47p carbohydrate recognition domain (CRD), monoclinic crystal form 1 | | Descriptor: | Emp47p (form2) | | Authors: | Satoh, T, Sato, K, Kanoh, A, Yamashita, K, Kato, R, Nakano, A, Wakatsuki, S. | | Deposit date: | 2005-07-04 | | Release date: | 2006-01-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structures of the carbohydrate recognition domain of Ca2+-independent cargo receptors Emp46p and Emp47p.
J.Biol.Chem., 281, 2006
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2A6V
 | | Crystal structure of Emp46p carbohydrate recognition domain (CRD), potassium-bound form | | Descriptor: | 1,2-ETHANEDIOL, Emp46p, POTASSIUM ION | | Authors: | Satoh, T, Sato, K, Kanoh, A, Yamashita, K, Kato, R, Nakano, A, Wakatsuki, S. | | Deposit date: | 2005-07-04 | | Release date: | 2006-01-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structures of the carbohydrate recognition domain of Ca2+-independent cargo receptors Emp46p and Emp47p.
J.Biol.Chem., 281, 2006
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1MK4
 | | Structure of Protein of Unknown Function YqjY from Bacillus subtilis, Probable Acetyltransferase | | Descriptor: | Hypothetical protein yqjY | | Authors: | Zhang, R, Dementiva, I, Mo, A, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-08-28 | | Release date: | 2003-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7A crystal structure of a hypothetical protein yqjY
from Bacillus subtilis
To be Published
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1LVB
 | | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | Deposit date: | 2002-05-28 | | Release date: | 2002-11-27 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
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3GJK
 | | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3', POTASSIUM ION | | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | | Deposit date: | 2009-03-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
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3GQY
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine, L(+)-TARTARIC ACID, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-24 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
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7Z05
 | | White Bream virus N7-Methyltransferase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Shannon, A, Gauffre, P, Canard, B, Ferron, F. | | Deposit date: | 2022-02-22 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
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3CQY
 | | Crystal structure of a functionally unknown protein (SO_1313) from Shewanella oneidensis MR-1 | | Descriptor: | Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION, SUCCINIC ACID | | Authors: | Tan, K, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of a functionally unknown protein (SO_1313) from Shewanella oneidensis MR-1.
To be Published
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3GSN
 | | Crystal structure of the public RA14 TCR in complex with the HCMV dominant NLV/HLA-A2 epitope | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HCMV pp65 fragment 495-503 (NLVPMVATV), ... | | Authors: | Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
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4NI1
 | | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | | Descriptor: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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2YNX
 | | Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period | | Descriptor: | ACETATE ION, LACA THIOREDOXIN, SODIUM ION | | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2012-10-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
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3CUO
 | | Crystal structure of the predicted DNA-binding transcriptional regulator from E. coli | | Descriptor: | Uncharacterized HTH-type transcriptional regulator ygaV | | Authors: | Zhang, R, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-16 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the predicted DNA-binding transcriptional regulator from E. coli.
To be Published
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3GSU
 | | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5T peptide variant | | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5T (NLVPTVATV), ... | | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
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1Z8A
 | | Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | | Descriptor: | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G. | | Deposit date: | 2005-03-30 | | Release date: | 2006-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
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4NE3
 | | Human MHF1-MHF2 complex | | Descriptor: | Centromere protein S, Centromere protein X | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2013-12-25 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.8007 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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1Z89
 | | Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | | Descriptor: | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G. | | Deposit date: | 2005-03-30 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
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3D2J
 | | Structure of berberine bridge enzyme from Eschscholzia californica, tetragonal crystal form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Winkler, A, Lyskowski, A, Macheroux, P, Gruber, K. | | Deposit date: | 2008-05-08 | | Release date: | 2008-10-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A concerted mechanism for berberine bridge enzyme
Nat.Chem.Biol., 4, 2008
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4NRA
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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7YX8
 | | Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut.
Nat Commun, 13, 2022
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1ZCR
 | | Crystal structure of human Transthyretin with bound iodide | | Descriptor: | IODIDE ION, Transthyretin | | Authors: | Hornberg, A, Hultdin, U.W, Olofsson, A, Sauer-Eriksson, A.E. | | Deposit date: | 2005-04-13 | | Release date: | 2005-07-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The effect of iodide and chloride on transthyretin structure and stability
Biochemistry, 44, 2005
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7Z5A
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