6QTM
 
 | | Crystal structure of the Sir4 H-BRCT domain in complex with Ty5 pS1095 peptide | | Descriptor: | Regulatory protein SIR4, Ribonuclease H, SULFATE ION | | Authors: | Gut, H, Deshpande, I, Keusch, J.J, Challa, K, Iesmantavicius, V, Gasser, S.M. | | Deposit date: | 2019-02-25 | | Release date: | 2019-09-18 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Sir4 H-BRCT domain interacts with phospho-proteins to sequester and repress yeast heterochromatin.
Embo J., 38, 2019
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2BTY
 | | Acetylglutamate kinase from Thermotoga maritima complexed with its inhibitor arginine | | Descriptor: | ACETYLGLUTAMATE KINASE, ARGININE, N-ACETYL-L-GLUTAMATE, ... | | Authors: | Gil-Ortiz, F, Fernandez-Murga, M.L, Fita, I, Rubio, V. | | Deposit date: | 2005-06-08 | | Release date: | 2005-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa
J.Mol.Biol., 356, 2006
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2BXP
 | | Human serum albumin complexed with myristate and phenylbutazone | | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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6UNI
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2019-10-11 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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6QV1
 | | Structure of ATPgS-bound outward-facing TM287/288 in complex with nanobody Nb_TM1 | | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | | Authors: | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2019-03-01 | | Release date: | 2019-05-29 | | Last modified: | 2019-06-05 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
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6QV2
 | | Structure of ATPgS-bound outward-facing TM287/288 in complex with nanobody Nb_TM#2 | | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | | Authors: | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2019-03-01 | | Release date: | 2019-05-29 | | Last modified: | 2019-06-05 | | Method: | X-RAY DIFFRACTION (4.23 Å) | | Cite: | The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
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5CSU
 | | Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
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6XD8
 | | Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis | | Descriptor: | Foldase protein PrsA 1 | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-10 | | Release date: | 2020-07-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis
To Be Published
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2BXL
 | | Human serum albumin complexed with myristate and 3,5-diiodosalicylic acid | | Descriptor: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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5DGW
 | | Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand | | Descriptor: | (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Pol protein, ... | | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2015-08-28 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Org.Biomol.Chem., 13, 2015
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6TZY
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4KQO
 | | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | | Deposit date: | 2013-05-15 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
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6U4R
 | | Crystal structure of Equine Serum Albumin complex with ketoprofen | | Descriptor: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ... | | Authors: | Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-26 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
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7CBA
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352D
 | | THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION | | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION | | Authors: | Phillips, K, Dauter, Z, Murchie, A.I.H, Lilley, D.M.J, Luisi, B. | | Deposit date: | 1997-09-04 | | Release date: | 1997-11-10 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The crystal structure of a parallel-stranded guanine tetraplex at 0.95 A resolution.
J.Mol.Biol., 273, 1997
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1S5E
 | | Cholera holotoxin, Crystal form 1 | | Descriptor: | Cholera enterotoxin, A chain precursor, SODIUM ION, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism
Biochemistry, 43, 2004
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6QNA
 | | Structure of bovine anti-RSV hybrid Fab B13HC-B4LC | | Descriptor: | B13 Heavy chain, B4 light chain, GLYCEROL | | Authors: | Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J. | | Deposit date: | 2019-02-10 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
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6U6C
 | | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Protein Sci., 29, 2020
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6QNZ
 | | Crystal structure of the site-specific DNA nickase N.BspD6I E418A Mutant | | Descriptor: | GLYCEROL, Heterodimeric restriction endonuclease R.BspD6I large subunit, PHOSPHATE ION | | Authors: | Artyukh, R.I, Kachalova, G.S, Yunusova, A.K, Gabdulkhakov, A.G, Fatkhullin, B.F, Atanasov, B.P, Perevyazova, T.A, Popov, A.N, Zheleznaya, L.A. | | Deposit date: | 2019-02-12 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The key role of E418 carboxyl group in the formation of Nt.BspD6I nickase active site: Structural and functional properties of Nt.BspD6I E418A mutant.
J.Struct.Biol., 210, 2020
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6HHJ
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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1S57
 | | crystal structure of nucleoside diphosphate kinase 2 from Arabidopsis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoside diphosphate kinase II, SULFATE ION | | Authors: | Im, Y.J, Kim, J.-I, Shen, Y, Na, Y, Han, Y.-J, Kim, S.-H, Song, P.-S, Eom, S.H. | | Deposit date: | 2004-01-20 | | Release date: | 2004-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of Arabidopsis thaliana nucleoside diphosphate kinase-2 for phytochrome-mediated light signaling
J.Mol.Biol., 343, 2004
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5DQF
 | | Horse Serum Albumin (ESA) in complex with Cetirizine | | Descriptor: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ... | | Authors: | Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-09-14 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site.
Mol.Immunol., 71, 2016
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6UNE
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2019-10-11 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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6QU5
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12 | | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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5DLL
 | | Aminopeptidase N (pepN) from Francisella tularensis subsp. tularensis SCHU S4 | | Descriptor: | Aminopeptidase N, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Borek, D, Raczynska, J, Dubrovska, I, Grimshaw, S, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-09-07 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Aminopeptidase N (pepN) from Francisella tularensis subsp. tularensis SCHU S4
To Be Published
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