2XQV
 
 | | The X-ray structure of the Zn(II) bound ZnuA from Salmonella enterica | | Descriptor: | SULFATE ION, ZINC ABC TRANSPORTER, PERIPLASMIC ZINC-BINDING PROTEIN, ... | | Authors: | Alaleona, F, Ilari, A, Chiancone, E, Battistoni, A, Petrarca, P. | | Deposit date: | 2010-09-07 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines.
J.Mol.Biol., 409, 2011
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6JX4
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2XZL
 | | Upf1-RNA complex | | Descriptor: | 5- R(*UP*UP*UP*UP*UP*UP*UP*UP*U) -3, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT HELICASE NAM7, ... | | Authors: | Chakrabarti, S, Jayachandran, U, Bonneau, F, Fiorini, F, Basquin, C, Domcke, S, Le Hir, H, Conti, E. | | Deposit date: | 2010-11-26 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Mechanisms for the RNA-Dependent ATPase Activity of Upf1 and its Regulation by Upf2.
Mol.Cell, 41, 2011
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2Y2L
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2XJY
 | | Crystal structure of the LMO2:LDB1-LID complex, P21 crystal form | | Descriptor: | LIM DOMAIN-BINDING PROTEIN 1, RHOMBOTIN-2, ZINC ION | | Authors: | El Omari, K, Karia, D, Porcher, C, Mancini, E.J. | | Deposit date: | 2010-07-06 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Leukemia Oncogene Lmo2: Implications for the Assembly of a Hematopoietic Transcription Factor Complex.
Blood, 117, 2011
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2XPA
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | | Deposit date: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
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7LJG
 | | Crystal Structure of Lectin from Dioclea altissima | | Descriptor: | Lectin, MANGANESE (II) ION | | Authors: | Vieira-Neto, A.E, Pereira, H.M, Sousa, F.D, Goncalves, N.G.G, Vieira, N.C.G, Monteiro-Moreira, A.C.O, Moereira, R.A. | | Deposit date: | 2021-01-29 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Lectin from Dioclea altissima
To Be Published
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2XW7
 | | Structure of Mycobacterium smegmatis putative reductase MS0308 | | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | | Authors: | Evangelopoulos, D, Gupta, A, Lack, N, Cronin, N, Daviter, T, Sim, E, Keep, N.H, Bhakta, S. | | Deposit date: | 2010-11-01 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of an Oxidoreductase from the Arylamine N-Acetyltransferase Operon in Mycobacterium Smegmatis.
FEBS J., 278, 2011
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7LKL
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-02 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
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2Y2M
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2Y31
 | | Simocyclinone C4 bound form of TetR-like repressor SimR | | Descriptor: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2010-12-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
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7YHJ
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7LK0
 | | Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) | | Descriptor: | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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7LPF
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2XQ2
 | | Structure of the K294A mutant of vSGLT | | Descriptor: | DI(HYDROXYETHYL)ETHER, SODIUM/GLUCOSE COTRANSPORTER | | Authors: | Watanabe, A, Choe, S, Chaptal, V, Rosenberg, J.M, Wright, E.M, Grabe, M, Abramson, J. | | Deposit date: | 2010-09-01 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Mechanism of Sodium and Substrate Release from the Binding Pocket of Vsglt
Nature, 468, 2010
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7LI1
 | | Crystal structure of holo Moraxella catarrhalis ferric binding protein A in an open conformation | | Descriptor: | CARBONATE ION, FE (III) ION, Fe(3+) ABC transporter substrate-binding protein | | Authors: | Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. | | Deposit date: | 2021-01-26 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
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7Y0G
 | | Crystal structure of anti-mPEG h15-2b Fab | | Descriptor: | 15-2b heavy chain, 15-2b light chain, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | | Authors: | Chang, C.Y, Nguyen, T.M.T, Lin, E.C, Su, Y.C. | | Deposit date: | 2022-06-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group.
Commun Chem, 5, 2022
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7LI0
 | | Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation | | Descriptor: | CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. | | Deposit date: | 2021-01-26 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
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2XP4
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 2-phenyl-1H-imidazole-4-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | | Deposit date: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
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7XW6
 | | TSHR-Gs-M22 antibody-ML109 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E. | | Deposit date: | 2022-05-26 | | Release date: | 2022-08-17 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
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2Y59
 | | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2011-01-12 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
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2XV6
 | | Crystal structure of the HIV-1 capsid protein C-terminal domain (146- 220) in complex with a camelid VHH. | | Descriptor: | CAMELID VHH 9, CAPSID PROTEIN P24 | | Authors: | Igonet, S, Vaney, M.C, Bartonova, V, Helma, J, Rothbauer, U, Leonhardt, H, Stura, E, Krausslich, H.-G, Rey, F.A. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Targeting HIV-1 Virion Formation with Nanobodies -Implications for the Design of Assembly Inhibitors
To be Published
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7YKE
 | | Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | | Authors: | Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T. | | Deposit date: | 2022-07-22 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity.
Febs J., 290, 2023
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2Y30
 | | Simocyclinone D8 bound form of TetR-like repressor SimR | | Descriptor: | CHLORIDE ION, PUTATIVE REPRESSOR SIMREG2, SIMOCYCLINONE D8 | | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2010-12-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
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7LTP
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-19 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
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