8SMD
 
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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3ZRF
 | | pVHL54-213-EloB-EloC complex_apo | | Descriptor: | TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR, | | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-06-16 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction
J.Am.Chem.Soc., 134, 2012
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3ZSR
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-06-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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3ZT4
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design
Plos One, 7, 2012
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8SME
 | | Structure of SPO1 phage Tad2 in apo state | | Descriptor: | Gp34.65 | | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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4PLC
 | | Crystal structure of ancestral apicomplexan lactate dehydrogenase with malate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ... | | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | Deposit date: | 2014-05-16 | | Release date: | 2014-07-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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1OEB
 | | Mona/Gads SH3C domain | | Descriptor: | CADMIUM ION, GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2 | | Authors: | Harkiolaki, M, Lewitzky, M, Gilbert, R.J.C, Jones, E.Y, Bourette, R.P, Mouchiroud, G, Sondermann, H, Moarefi, I, Feller, S.M. | | Deposit date: | 2003-03-24 | | Release date: | 2003-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for SH3 Domain-Mediated High-Affinity Binding between Mona/Gads and Slp-76
Embo J., 22, 2003
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4PNN
 | | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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3ZSQ
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, GLYCEROL, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-06-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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3ZT3
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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3ZTO
 | | Orthorhombic crystal form C222 of the Aquifex aeolicus nucleoside diphosphate kinase | | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | | Deposit date: | 2011-07-12 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
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8SNX
 | | Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter | | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L | | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | | Deposit date: | 2023-04-28 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
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8SNY
 | | Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter | | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L | | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | | Deposit date: | 2023-04-28 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
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1I5K
 | | STRUCTURE AND BINDING DETERMINANTS OF THE RECOMBINANT KRINGLE-2 DOMAIN OF HUMAN PLASMINOGEN TO AN INTERNAL PEPTIDE FROM A GROUP A STREPTOCOCCAL SURFACE PROTEIN | | Descriptor: | M PROTEIN, PLASMINOGEN | | Authors: | Rios-Steiner, J.L, Schenone, M, Mochalkin, I, Tulinsky, A, Castellino, F.J. | | Deposit date: | 2001-02-27 | | Release date: | 2001-08-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and binding determinants of the recombinant kringle-2 domain of human plasminogen to an internal peptide from a group A Streptococcal surface protein.
J.Mol.Biol., 308, 2001
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2FSV
 | | Structure of transhydrogenase (dI.D135N.NAD+)2(dIII.E155W.NADP+)1 asymmetric complex | | Descriptor: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | Authors: | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | | Deposit date: | 2006-01-23 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase.
J.Biol.Chem., 281, 2006
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8RAF
 | | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I (holo form) | | Descriptor: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M. | | Deposit date: | 2023-12-01 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
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8RAI
 | | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I complexed with phenylhydrazine | | Descriptor: | Aminotransferase class IV, GLYCEROL, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M. | | Deposit date: | 2023-12-01 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
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6BR2
 | | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | | Descriptor: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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4NF2
 | | Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis in complex with carbamoyl phosphate and L-norvaline | | Descriptor: | CHLORIDE ION, NORVALINE, Ornithine carbamoyltransferase, ... | | Authors: | Shabalin, I.G, Handing, K, Cymborowski, M.T, Stam, J, Winsor, J, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-10-30 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis
To be Published
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2J5W
 | | Ceruloplasmin revisited: structural and functional roles of various metal cation binding sites | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CERULOPLASMIN, ... | | Authors: | Bento, I, Peixoto, C, Zaitsev, V.N, Lindley, P.F. | | Deposit date: | 2006-09-19 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ceruloplasmin Revisited: Structural and Functional Roles of Various Metal Cation-Binding Sites.
Acta Crystallogr.,Sect.D, 63, 2007
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6BYM
 | | Crystal structure of the sterol-bound second StART domain of yeast Lam4 | | Descriptor: | 25-HYDROXYCHOLESTEROL, Sterol-binding protein | | Authors: | Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of sterol binding and transport by a yeast StARkin domain.
J. Biol. Chem., 293, 2018
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4NJ9
 | | Crystal structure of Fab 8B10 in complex with MPTS | | Descriptor: | 8-methoxypyrene-1,3,6-trisulfonic acid, 8B10 heavy chain, 8B10 light chain, ... | | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | | Deposit date: | 2013-11-08 | | Release date: | 2014-11-12 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
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6BZ4
 | | Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
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1NSQ
 | | MECHANISM OF PHOSPHATE TRANSFER BY NUCLEOSIDE DIPHOSPHATE KINASE: X-RAY STRUCTURES OF A PHOSPHO-HISTIDINE INTERMEDIATE OF THE ENZYMES FROM DROSOPHILA AND DICTYOSTELIUM | | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Janin, J, Chiadmi, M, Morera, S, Lebras, G, Lascu, I. | | Deposit date: | 1995-04-24 | | Release date: | 1995-07-10 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Mechanism of phosphate transfer by nucleoside diphosphate kinase: X-ray structures of the phosphohistidine intermediate of the enzymes from Drosophila and Dictyostelium.
Biochemistry, 34, 1995
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1IC8
 | | HEPATOCYTE NUCLEAR FACTOR 1A BOUND TO DNA : MODY3 GENE PRODUCT | | Descriptor: | 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*G)-3', HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | | Authors: | Chi, Y.-I, Frantz, J.D, Oh, B.-C, Hansen, L, Dhe-Paganon, S, Shoelson, S.E. | | Deposit date: | 2001-03-30 | | Release date: | 2002-11-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Diabetes mutations delineate an
atypical POU domains in HNF1-Alpha
Mol.Cell, 10, 2002
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