6SQE
 
 | | Crystal structure of CREBBP bromodomain complexed with KD341 | | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide | | Authors: | Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.506 Å) | | Cite: | Crystal structure of CREBBP bromodomain complexed with KD341
To Be Published
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6GBJ
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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6SPY
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 6-(morpholin-4-yl)pyridine-3-carboxamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-morpholin-4-ylpyridine-3-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-09-03 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6GBN
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii in complex with adenosine | | Descriptor: | ADENOSINE, Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Czyrko, J, Jaskolski, M, Brzezinski, K. | | Deposit date: | 2018-04-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii, a case of combination of crystallographic and non-crystallographic symmetry.
Croatica Chemica Acta, 91, 2018
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1KAE
 | | L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH L-HISTIDINOL (SUBSTRATE), ZINC AND NAD (COFACTOR) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Histidinol dehydrogenase, ... | | Authors: | Barbosa, J.A.R.G, Sivaraman, J, Li, Y, Larocque, R, Matte, A, Schrag, J.D, Cygler, M. | | Deposit date: | 2001-11-01 | | Release date: | 2002-06-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of action and NAD+-binding mode revealed by the crystal structure of L-histidinol dehydrogenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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6SRD
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3CTV
 | | Crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, SULFATE ION | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-14 | | Release date: | 2008-04-29 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | X-ray crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus.
To be Published
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6JYE
 | | Structure of dark-state marine bacterial chloride importer, NM-R3, with Pulse laser (ND-1%) at 140K. | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.H, Ohki, M, Park, S.Y, Lee, W. | | Deposit date: | 2019-04-26 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pumping mechanism of NM-R3, a light-driven bacterial chloride importer in the rhodopsin family.
Sci Adv, 6, 2020
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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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3CU0
 | | human beta 1,3-glucuronyltransferase I (GlcAT-I) in complex with UDP and GAL-GAL(6-SO4)-XYL(2-PO4)-O-SER | | Descriptor: | Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Tone, Y, Pedersen, L.C, Yamamoto, T, Kitagawa, H, Nishihara-Shimizu, J, Tamura, J, Negishi, M, Sugahara, K. | | Deposit date: | 2008-04-15 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 2-o-phosphorylation of xylose and 6-o-sulfation of galactose in the protein linkage region of glycosaminoglycans influence the glucuronyltransferase-I activity involved in the linkage region synthesis.
J.Biol.Chem., 283, 2008
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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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1KBZ
 | | Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium | | Descriptor: | MAGNESIUM ION, dTDP-glucose oxidoreductase | | Authors: | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | | Deposit date: | 2001-11-07 | | Release date: | 2002-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
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4KDC
 | | Crystal Structure of UBIG | | Descriptor: | 3-demethylubiquinone-9 3-methyltransferase | | Authors: | Zhu, Y, Teng, M, Li, X. | | Deposit date: | 2013-04-24 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and biochemical studies reveal UbiG/Coq3 as a class of novel membrane-binding proteins.
Biochem. J., 470, 2015
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6SSS
 | | Crystal structure of Human Microsomal Glutathione S-Transferase 2 | | Descriptor: | 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ... | | Authors: | Thulasingam, M, Nji, E, Haeggstrom, J.Z. | | Deposit date: | 2019-09-09 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
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3CV3
 | | Crystal Structure of GumK mutant D157A in complex with UDP | | Descriptor: | Glucuronosyltransferase GumK, URIDINE-5'-DIPHOSPHATE | | Authors: | Barreras, M. | | Deposit date: | 2008-04-17 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase.
J.Biol.Chem., 283, 2008
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3R0A
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1KC3
 | | Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose | | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | | Deposit date: | 2001-11-07 | | Release date: | 2002-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
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1K3B
 | | Crystal Structure of Human Dipeptidyl Peptidase I (Cathepsin C): Exclusion Domain Added to an Endopeptidase Framework Creates the Machine for Activation of Granular Serine Proteases | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SULFATE ION, ... | | Authors: | Turk, D, Janjic, V, Stern, I, Podobnik, M, Lamba, D, Dahl, S.W, Lauritzen, C, Pedersen, J, Turk, V, Turk, B. | | Deposit date: | 2001-10-02 | | Release date: | 2002-04-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of human dipeptidyl peptidase I (cathepsin C): exclusion domain added to an endopeptidase framework creates the machine for activation of granular serine proteases.
EMBO J., 20, 2001
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4KDT
 | | Structure of an early native-like intermediate of beta2-microglobulin amyloidosis | | Descriptor: | Beta-2-microglobulin, GLYCEROL, Nanobody24, ... | | Authors: | Vanderhaegen, S, Fislage, M, Pardon, E, Versees, W, Steyaert, J. | | Deposit date: | 2013-04-25 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of an early native-like intermediate of beta 2-microglobulin amyloidogenesis.
Protein Sci., 22, 2013
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6K7I
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ATP state class2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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3CIJ
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4PSX
 | | Crystal structure of histone acetyltransferase complex | | Descriptor: | COENZYME A, Histone H3, Histone H4, ... | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2014-03-08 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
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3R1P
 | | Odorant Binding Protein 7 from Anopheles gambiae with Four Disulfide Bridges, form P1 | | Descriptor: | Odorant binding protein, antennal, PALMITIC ACID | | Authors: | Lagarde, A, Spinelli, S, Tegoni, M, Field, L, He, X, Zhou, J.J, Cambillau, C. | | Deposit date: | 2011-03-11 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Crystal Structure of Odorant Binding Protein 7 from Anopheles gambiae Exhibits an Outstanding Adaptability of Its Binding Site.
J.Mol.Biol., 414, 2011
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4KP3
 | | Crystal Structure of MyoVa-GTD in Complex with Two Cargos | | Descriptor: | Melanophilin, RILP-like protein 2, Unconventional myosin-Va | | Authors: | Wei, Z, Liu, X, Yu, C, Zhang, M. | | Deposit date: | 2013-05-13 | | Release date: | 2013-07-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Structural basis of cargo recognitions for class V myosins
Proc.Natl.Acad.Sci.USA, 110, 2013
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3RPH
 | | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+. | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, MAGNESIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-26 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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