8VAF
 
 | | Cryogenic electron microscopy structure of apo human serum albumin | | Descriptor: | Serum albumin | | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2023-12-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
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3B8U
 | | Crystal structure of Escherichia coli alaine racemase mutant E221A | | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | | Deposit date: | 2007-11-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
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3UMH
 | | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with cadmium | | Descriptor: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION | | Authors: | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | | Deposit date: | 2011-11-13 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain.
J.Mol.Biol., 416, 2012
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2C61
 | | Crystal structure of the non-catalytic B subunit of A-type ATPase from M. mazei Go1 | | Descriptor: | A-TYPE ATP SYNTHASE NON-CATALYTIC SUBUNIT B | | Authors: | Schaefer, I, Bailer, S.M, Dueser, M, Boersch, M, Bernal, R.A, Grueber, G, Stock, D. | | Deposit date: | 2005-11-06 | | Release date: | 2006-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of the Archaeal A1Ao ATP Synthase Subunit B from Methanosarcina Mazei Go1: Implications of Nucleotide-Binding Differences in the Major A1Ao Subunits a and B. Subunits a and B
J.Mol.Biol., 358, 2006
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2VWY
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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2BJC
 | | NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor | | Descriptor: | 5'-D(*GP*AP*AP*TP*TP*GP*TP*AP*AP*GP *CP*GP*CP*TP*TP*AP*CP*AP*AP*TP*TP*C)-3', LACTOSE OPERON REPRESSOR | | Authors: | Salinas, R.K, Folkers, G.E, Bonvin, A.M.J.J, Das, D, Boelens, R, Kaptein, R. | | Deposit date: | 2005-02-01 | | Release date: | 2005-10-18 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | Altered Specificity in DNA Binding by the Lac Repressor: A Mutant Lac Headpiece that Mimics the Gal Repressor
Chembiochem, 6, 2005
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2VTM
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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8VTW
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-128 and protein Y at 2.35A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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2VU3
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-20 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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3UMI
 | | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with zinc | | Descriptor: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION, ... | | Authors: | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | | Deposit date: | 2011-11-13 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain.
J.Mol.Biol., 416, 2012
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8VTU
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-66, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | | Descriptor: | 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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2C5Y
 | | DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2005-11-03 | | Release date: | 2006-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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3BHM
 | | Crystal structure of human Carbonyl Reductase 1 in complex with S-hydroxymethylglutathione | | Descriptor: | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, Carbonyl reductase [NADPH] 1, ... | | Authors: | Bateman, R.L, Rauh, D, Shokat, K.M. | | Deposit date: | 2007-11-28 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
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8VTV
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-91, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.55A resolution | | Descriptor: | 1-cyclopropyl-7-{7-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]hept-1-yn-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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8VTX
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with macrolone MCX-128, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | | Descriptor: | 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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3BHW
 | | Crystal structure of an uncharacterized protein from Magnetospirillum magneticum | | Descriptor: | Uncharacterized protein | | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of an uncharacterized protein from Magnetospirillum magneticum.
To be Published
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2BGD
 | | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | | Descriptor: | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | | Deposit date: | 2004-12-21 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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2BWP
 | | 5-Aminolevulinate Synthase from Rhodobacter capsulatus in complex with glycine | | Descriptor: | 5-AMINOLEVULINATE SYNTHASE, ACETIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Authors: | Astner, I, Schulze, J.O, Van Den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W. | | Deposit date: | 2005-07-15 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
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2BL5
 | | Solution structure of the KH-QUA2 region of the Xenopus STAR-GSG Quaking protein. | | Descriptor: | MGC83862 PROTEIN | | Authors: | Maguire, M.L, Guler-Gane, G, Nietlispach, D, Raine, A.R.C, Zorn, A.M, Standart, N, Broadhurst, R.W. | | Deposit date: | 2005-03-01 | | Release date: | 2005-04-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Kh-Qua2 Region of the Xenopus Star/Gsg Quaking Protein
J.Mol.Biol., 348, 2005
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8VTY
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with ciprofloxacin and protein Y at 2.60A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 16S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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2C9T
 | | Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI | | Descriptor: | ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Hogg, R.C, Celie, P.H, Bertrand, D, Tsetlin, V, Smit, A.B, Sixma, T.K. | | Deposit date: | 2005-12-14 | | Release date: | 2006-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Determinants of Selective {Alpha}-Conotoxin Binding to a Nicotinic Acetylcholine Receptor Homolog Achbp.
Proc.Natl.Acad.Sci.USA, 103, 2006
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9B3P
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2CGJ
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3BMA
 | | Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6 | | Descriptor: | D-alanyl-lipoteichoic acid synthetase, GLYCEROL, SULFATE ION | | Authors: | Patskovsky, Y, Sridhar, V, Bonanno, J.B, Smith, D, Rutter, M, Iizuka, M, Koss, J, Bain, K, Gheyi, T, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-12 | | Release date: | 2007-12-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of probable D-Alanyl-Lipoteichoic Acid Synthetase from Streptococcus pneumoniae.
To be Published
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2C7Q
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