5HTS
 
 | | Crystal structure of shaft pilin spaA from Lactobacillus rhamnosus GG - D295N mutant | | Descriptor: | Cell surface protein SpaA | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2016-01-27 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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6U60
 | | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ... | | Authors: | Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-28 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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7CX7
 | | Crystal structure of Arabinose isomerase from hybrid AI8 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, L-arabinose isomerase, ... | | Authors: | Hoang, N.K.Q, Dhanasingh, I, Cao, T.P, Sung, J.Y, Shin, S.M, Lee, D.W, Lee, S.H. | | Deposit date: | 2020-09-01 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) wt
To Be Published
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1R37
 | | Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol | | Descriptor: | 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | | Deposit date: | 2003-09-30 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry, 42, 2003
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8ATL
 | | Discovery of IRAK4 Inhibitor 23 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-23 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.464 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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6QV0
 | | Structure of ATP-bound outward-facing TM287/288 in complex with sybody Sb_TM35 | | Descriptor: | ABC transporter, ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, ... | | 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 (3.12 Å) | | Cite: | The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
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6XMT
 | | Structure of P5A-ATPase Spf1, BeF3-bound form | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P5A-type ATPase | | Authors: | Park, E, Sim, S.I. | | Deposit date: | 2020-06-30 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The endoplasmic reticulum P5A-ATPase is a transmembrane helix dislocase.
Science, 369, 2020
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6UB9
 | | Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM | | Descriptor: | (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, 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, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM
To be Published
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4NWB
 | | Crystal structure of Mrt4 | | Descriptor: | SULFATE ION, mRNA turnover protein 4 | | Authors: | Holdermann, I, Sinning, I. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2014-04-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 60S ribosome biogenesis requires rotation of the 5S ribonucleoprotein particle.
Nat Commun, 5, 2014
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5F92
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate | | Descriptor: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | | Authors: | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3PGM
 | | THE STRUCTURE OF YEAST PHOSPHOGLYCERATE MUTASE AT 0.28 NM RESOLUTION | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate mutase 1, SULFATE ION | | Authors: | Campbell, J.W, Hodgson, G.I, Warwicker, J, Winn, S.I, Watson, H.C. | | Deposit date: | 1982-04-06 | | Release date: | 1982-05-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and activity of phosphoglycerate mutase.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
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6XMQ
 | | Structure of P5A-ATPase Spf1, AMP-PCP-bound form | | Descriptor: | MAGNESIUM ION, P5A-type ATPase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Park, E, Sim, S.I. | | Deposit date: | 2020-06-30 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The endoplasmic reticulum P5A-ATPase is a transmembrane helix dislocase.
Science, 369, 2020
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2D5V
 | | Crystal structure of HNF-6alpha DNA-binding domain in complex with the TTR promoter | | Descriptor: | 5'-D(*AP*TP*TP*AP*TP*TP*GP*AP*CP*TP*TP*AP*GP*A)-3', 5'-D(*TP*CP*TP*AP*AP*GP*TP*CP*AP*AP*TP*AP*AP*T)-3', ACETATE ION, ... | | Authors: | Iyaguchi, D, Yao, M, Watanabe, N, Nishihira, J, Tanaka, I. | | Deposit date: | 2005-11-07 | | Release date: | 2006-12-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA recognition mechanism of the ONECUT homeodomain of transcription factor HNF-6
Structure, 15, 2007
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5FFX
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6QTB
 | | Crystal structure of Rea1-MIDAS/Ytm1-UBL complex from Chaetomium thermophilum | | Descriptor: | GLYCEROL, MAGNESIUM ION, Midasin,Midasin, ... | | Authors: | Ahmed, Y.L, Thoms, M, Hurt, E, Sinning, I. | | Deposit date: | 2019-02-22 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes.
Nat Commun, 10, 2019
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6QU3
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, 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 (2.35 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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6UNK
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-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: | 2019-10-12 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 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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6L3A
 | | Cytochrome P450 107G1 (RapN) with everolimus | | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | | Deposit date: | 2019-10-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
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6UNH
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-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 (2.72 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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2BXO
 | | Human serum albumin complexed with myristate and oxyphenbutazone | | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-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 (2.6 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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1RL4
 | | Plasmodium falciparum peptide deformylase complex with inhibitor | | Descriptor: | (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ... | | Authors: | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J. | | Deposit date: | 2003-11-24 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
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8AFK
 | | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin | | Descriptor: | Near-infrared fluorescent protein, PHYCOCYANOBILIN | | Authors: | Remeeva, A, Kovalev, K, Gushchin, I, Fonin, A, Turoverov, K, Stepanenko, O. | | Deposit date: | 2022-07-18 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin
To Be Published
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2BXK
 | | Human serum albumin complexed with myristate, azapropazone and indomethacin | | Descriptor: | AZAPROPAZONE, INDOMETHACIN, MYRISTIC ACID, ... | | 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 (2.4 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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6RBB
 | | CRYSTAL STRUCTURE OF the VhH-domain of anti-IL-17A antibody netakimab | | Descriptor: | VHH domain of netakimab | | Authors: | Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G. | | Deposit date: | 2019-04-10 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | CRYSTAL STRUCTURE OF the VhH-domain of anti-IL-17A antibody netakimab
To Be Published
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1R2R
 | | CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Aparicio, R, Ferreira, S.T, Polikarpov, I. | | Deposit date: | 2003-09-29 | | Release date: | 2003-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Closed conformation of the active site loop of rabbit muscle triosephosphate isomerase in the absence of substrate: evidence of conformational heterogeneity.
J.Mol.Biol., 334, 2003
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