3LPK
 
 | | Structure of BACE Bound to SCH747123 | | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2010-02-05 | | Release date: | 2010-04-14 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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4MPG
 | | Crystal structure of human glutathione transferase theta-2, complex with glutathione and unknown ligand, target EFI-507257 | | Descriptor: | FORMIC ACID, GLUTATHIONE, Glutathione S-transferase theta-2, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target EFI-507257)
To be Published
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5GHF
 | | Transaminase with L-ala | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class-III | | Authors: | Kim, J, Park, J. | | Deposit date: | 2016-06-19 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active Site Engineering of omega-Transaminase Guided by Docking Orientation Analysis and Virtual Activity Screening
Acs Catalysis, 7, 2017
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1TMM
 | | Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, ACETATE ION, ... | | Authors: | Blaszczyk, J, Li, Y, Wu, Y, Shi, G, Ji, X, Yan, H. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
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3IRN
 | | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | | Deposit date: | 2009-08-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
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1A34
 | | SATELLITE TOBACCO MOSAIC VIRUS/RNA COMPLEX | | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), SATELLITE TOBACCO MOSAIC VIRUS, ... | | Authors: | Larson, S.B, Day, J, Greenwood, A.J, McPherson, A. | | Deposit date: | 1998-01-28 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Refined structure of satellite tobacco mosaic virus at 1.8 A resolution.
J.Mol.Biol., 277, 1998
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6DFN
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | Deposit date: | 2018-05-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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7E40
 | | Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin | | Authors: | Zhou, J, Hu, Q, Yao, D, Xing, W. | | Deposit date: | 2021-02-09 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure.
Nat Commun, 12, 2021
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1YIY
 | | Aedes aegypti kynurenine aminotransferase | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BROMIDE ION, kynurenine aminotransferase; glutamine transaminase K | | Authors: | Han, Q, Gao, Y.G, Robinson, H, Ding, H, Wilson, S, Li, J. | | Deposit date: | 2005-01-13 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Aedes aegypti kynurenine aminotransferase.
FEBS J., 272, 2005
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7L1T
 | | Crystal structure of human holo SepSecS | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION | | Authors: | Puppala, A, Castillo Suchkou, J, Simonovic, M. | | Deposit date: | 2020-12-15 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans.
Nucleic Acids Res., 2023
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1YIZ
 | | Aedes aegypti kynurenine aminotrasferase | | Descriptor: | BROMIDE ION, kynurenine aminotransferase; glutamine transaminase | | Authors: | Han, Q, Gao, Y.G, Robinson, H, Ding, H, Wilson, S, Li, J. | | Deposit date: | 2005-01-13 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of Aedes aegypti kynurenine aminotransferase.
FEBS J., 272, 2005
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5TSA
 | | Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+ | | Descriptor: | CADMIUM ION, Membrane protein, ZINC ION | | Authors: | Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway.
Sci Adv, 3, 2017
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1KPM
 | | First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution. | | Descriptor: | ACETIC ACID, Phospholipase A2, VITAMIN E | | Authors: | Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P. | | Deposit date: | 2002-01-01 | | Release date: | 2002-07-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its
Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and
alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
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5TX7
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase family protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | | Authors: | Czub, M.P, Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Kutner, J, Cymborowski, M.T, Hennig, P.M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-11-15 | | Release date: | 2016-12-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
to be published
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7DCL
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4EZB
 | | CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021 | | Descriptor: | uncharacterized conserved protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-05-02 | | Release date: | 2012-05-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021
To be Published
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1T1P
 | | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | | Descriptor: | Insulin, insulin | | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-10 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
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5ECE
 | | Tankyrase 1 with Phthalazinone 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | | Deposit date: | 2015-10-20 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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4F4R
 | | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop | | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2012-05-11 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop
to be published
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7ZBQ
 | | Structure of the ADP-ribosyltransferase TccC3HVR from Photorhabdus Luminescens | | Descriptor: | TccC3 | | Authors: | Lindemann, F, Belyy, A, Friedrich, D, Schmieder, P, Bardiaux, B, Roderer, D, Funk, J, Protze, J, Bieling, P, Oschkinat, H, Raunser, S. | | Deposit date: | 2022-03-24 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.
Nat Commun, 13, 2022
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4F7E
 | | Crystal structure of bovine CD1d with bound C16:0-alpha-galactosyl ceramide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Wang, J, Zajonc, D.M. | | Deposit date: | 2012-05-15 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids.
Plos One, 7, 2012
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2LKO
 | | Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation | | Descriptor: | Fermitin family homolog 2, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE | | Authors: | Liu, J, Fukuda, K, Xu, Z. | | Deposit date: | 2011-10-17 | | Release date: | 2011-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of phosphoinositide binding to kindlin-2 protein pleckstrin homology domain in regulating integrin activation.
J.Biol.Chem., 286, 2011
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3I0N
 | | Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain | | Descriptor: | DNA repair and telomere maintenance protein nbs1, GLYCEROL | | Authors: | Clapperton, J.A, Lloyd, J, Chapman, J.R, Jackson, S.P, Smerdon, S.J. | | Deposit date: | 2009-06-25 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage
Cell(Cambridge,Mass.), 139, 2009
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1BIR
 | | RIBONUCLEASE T1, PHE 100 TO ALA MUTANT COMPLEXED WITH 2' GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 | | Authors: | Doumen, J, Gonciarz, M, Zegers, I, Loris, R, Wyns, L, Steyaert, J. | | Deposit date: | 1996-01-04 | | Release date: | 1996-08-17 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A catalytic function for the structurally conserved residue Phe 100 of ribonuclease T1.
Protein Sci., 5, 1996
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4L8C
 | | Crystal structure of the H2Db in complex with the NP-N3D peptide | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Rossjohn, J, Gras, S. | | Deposit date: | 2013-06-16 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
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