1H4K
 
 | | Sulfurtransferase from Azotobacter vinelandii in complex with hypophosphite | | Descriptor: | 1,2-ETHANEDIOL, HYPOPHOSPHITE, SULFATE ION, ... | | Authors: | Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M. | | Deposit date: | 2001-05-11 | | Release date: | 2002-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
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1H6C
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1H4M
 | | Sulfurtransferase from Azotobacter vinelandii in complex with phosphate | | Descriptor: | 1,2-ETHANEDIOL, PUTATIVE THIOSULFATE SULFURTRANSFERASE | | Authors: | Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M. | | Deposit date: | 2001-05-11 | | Release date: | 2002-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
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1GZK
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1H6D
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1H6A
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6VRH
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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4Y0I
 | | GABA-aminotransferase inactivated by conformationally-restricted inactivator | | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | | Deposit date: | 2015-02-06 | | Release date: | 2016-02-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | GABA-aminotransferase inactivated by conformationally-restricted inactivator
To Be Published
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6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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5MI8
 | | Structure of the phosphomimetic mutant of EF-Tu T383E | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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6P0J
 | | Crystal structure of GDP-bound human RalA | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5MMP
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
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3S1F
 | | Asp169Glu mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2011-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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5MRD
 | | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | | Deposit date: | 2016-12-22 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
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6PBW
 | | Crystal structure of Fab667 complex | | Descriptor: | Fab667 heavy chain, Fab667 light chain, GLYCEROL, ... | | Authors: | Oyen, D, Wilson, I.A. | | Deposit date: | 2019-06-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.058 Å) | | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
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3S1C
 | | Maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenosine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2011-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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3S1D
 | | Glu381Ser mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenosine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2011-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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2L30
 | | Human PARP-1 zinc finger 1 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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2L31
 | | Human PARP-1 zinc finger 2 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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5FGP
 | | Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA. | | Descriptor: | CG1507-PB, isoform B, CHLORIDE ION, ... | | Authors: | Weber, J, Janowski, R, Niessing, D. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
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8CHW
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8CHT
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8CHV
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8CJ9
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-12 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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8CHU
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