5O5E
 
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-01 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6EYA
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2IXN
 | | CRYSTAL STRUCTURE OF THE PP2A PHOSPHATASE ACTIVATOR Ypa2 PTPA2 | | Descriptor: | SERINE/THREONINE-PROTEIN PHOSPHATASE 2A ACTIVATOR 2 | | Authors: | Leulliot, N, Vicentini, G, Jordens, J, Quevillon-Cheruel, S, Schiltz, M, Barford, D, Van Tilbeurgh, H, Goris, J. | | Deposit date: | 2006-07-09 | | Release date: | 2006-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Pp2A Phosphatase Activator: Implications for its Pp2A-Specific Ppiase Activity
Mol.Cell, 23, 2006
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2IW5
 | | Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase | | Descriptor: | AMMONIUM ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Yang, M, Gocke, C.B, Luo, X, Borek, D, Tomchick, D.R, Machius, M, Otwinowski, Z, Yu, H. | | Deposit date: | 2006-06-26 | | Release date: | 2006-08-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural Basis for Corest-Dependent Demethylation of Nucleosomes by the Human Lsd1 Histone Demethylase
Mol.Cell, 23, 2006
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4IHY
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2IY5
 | | PHENYLALANYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS complexed with tRNA and a phenylalanyl-adenylate analog | | Descriptor: | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE], MAGNESIUM ION, PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN, ... | | Authors: | Moor, N, Kotik-Kogan, O, Tworowski, D, Sukhanova, M, Safro, M. | | Deposit date: | 2006-07-12 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of the ternary complex of phenylalanyl-tRNA synthetase with tRNAPhe and a phenylalanyl-adenylate analogue reveals a conformational switch of the CCA end.
Biochemistry, 45, 2006
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4IHW
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6F77
 | | Crystal structure of the prephenate aminotransferase from Rhizobium meliloti | | Descriptor: | Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Cobessi, D, Giustini, C, Graindorge, M, Matringe, M. | | Deposit date: | 2017-12-07 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase.
Febs J., 286, 2019
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6EYB
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2IC1
 | | Crystal Structure of Human Cysteine Dioxygenase in Complex with Substrate Cysteine | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | | Authors: | Ye, S, Wu, X, Wei, L, Tang, D, Sun, P, Rao, Z. | | Deposit date: | 2006-09-12 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An Insight into the Mechanism of Human Cysteine Dioxygenase: KEY ROLES OF THE THIOETHER-BONDED TYROSINE-CYSTEINE COFACTOR.
J.Biol.Chem., 282, 2007
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2J5H
 | | NMR analysis of mouse CRIPTO CFC domain | | Descriptor: | TERATOCARCINOMA-DERIVED GROWTH FACTOR | | Authors: | Calvanese, L, Saporito, A, Marasco, D, D'Auria, G, Minchiotti, G, Pedone, C, Paolillo, L, Falcigno, L, Ruvo, M. | | Deposit date: | 2006-09-18 | | Release date: | 2006-10-02 | | Last modified: | 2018-05-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala.
J. Med. Chem., 49, 2006
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6FEA
 | | A. vinelandii vanadium nitrogenase, turnover state | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBONATE ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Sippel, D, Einsle, O. | | Deposit date: | 2017-12-31 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A bound reaction intermediate sheds light on the mechanism of nitrogenase.
Science, 359, 2018
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6EZO
 | | Eukaryotic initiation factor EIF2B in complex with ISRIB | | Descriptor: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Human eukaryotic initiation factor EIF2B epsilon subunits, Translation initiation factor eIF-2B subunit alpha, ... | | Authors: | Faille, A, Weis, F, Zyryanova, A, Warren, A.J, Ron, D. | | Deposit date: | 2017-11-16 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Binding of ISRIB reveals a regulatory site in the nucleotide exchange factor eIF2B.
Science, 359, 2018
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4IOH
 | | Crystal Structure of the Tll1086 protein from Thermosynechococcus elongatus, Northeast Structural Genomics Consortium Target TeR258 | | Descriptor: | Tll1086 protein | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, X, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-01-07 | | Release date: | 2013-01-30 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of the Tll1086 protein from Thermosynechococcus elongatus.
To be Published
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6F1N
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | Descriptor: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION | | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | Deposit date: | 2017-11-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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2J0E
 | | Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from Trypanosoma brucei | | Descriptor: | 6-PHOSPHOGLUCONOLACTONASE, MERCURY (II) ION, POTASSIUM ION, ... | | Authors: | Delarue, M, Duclert-Savatier, N, Miclet, E, Haouz, A, Giganti, D, Ouazzani, J, Lopez, P, Nilges, M, Stoven, V. | | Deposit date: | 2006-08-02 | | Release date: | 2007-01-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three Dimensional Structure and Implications for the Catalytic Mechanism of 6-Phosphogluconolactonase from Trypanosoma Brucei.
J.Mol.Biol., 366, 2007
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4IE1
 | | Crystal structure of human Arginase-1 complexed with inhibitor 1h | | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.0006 Å) | | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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2IO3
 | | Crystal structure of human Senp2 in complex with RanGAP1-SUMO-2 | | Descriptor: | Ran GTPase-activating protein 1, Sentrin-specific protease 2, Small ubiquitin-related modifier 2 | | Authors: | Reverter, D, Lima, C.D. | | Deposit date: | 2006-10-09 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for SENP2 protease interactions with SUMO precursors and conjugated substrates.
Nat.Struct.Mol.Biol., 13, 2006
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2IOF
 | | Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D. | | Deposit date: | 2006-10-10 | | Release date: | 2007-07-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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2J1T
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6F7Q
 | | Human Butyrylcholinesterase complexed with N-Propargyliperidines | | Descriptor: | 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | | Deposit date: | 2017-12-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
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6F87
 | | Crystal structure of P. abyssi Sua5 complexed with L-threonine and PPi | | Descriptor: | PYROPHOSPHATE 2-, THREONINE, Threonylcarbamoyl-AMP synthase | | Authors: | Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T. | | Deposit date: | 2017-12-12 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
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4IHX
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2J7J
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6FAP
 | | Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2017-12-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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