4MC1
 
 | | HIV protease in complex with SA526P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4LT8
 | | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-G on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-06 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (3.14000177 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4MF2
 | | Structure of human DNA polymerase beta complexed with O6MG as the template base in a 1-nucleotide gapped DNA | | Descriptor: | DNA polymerase beta, SODIUM ION, synthetic downstream primer, ... | | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-08-27 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
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4MFB
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor | | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.
J.Am.Chem.Soc., 135, 2013
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4MHF
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21 | | Descriptor: | TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-29 | | Release date: | 2013-09-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4M60
 | | Crystal structure of macrolide glycosyltransferases OleD | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Oleandomycin glycosyltransferase, SODIUM ION | | Authors: | Olmos Jr, J.L, Martinez III, E, Wang, F, Helmich, K.E, Singh, S, Xu, W, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-08-08 | | Release date: | 2013-09-04 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of macrolide glycosyltransferases OleD
To be Published
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4LPN
 | | Frog M-ferritin with cobalt, D127E mutant | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Ferritin, ... | | Authors: | Torres, R, Behera, R, Goulding, C.W. | | Deposit date: | 2013-07-16 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | D127E ion channel exit modification in ferritin nanocages entraps Fe(II) and impairs its distribution to diiron catalytic centers
To be Published
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4MAG
 | | Crystal structure of the Periplasmic Sialic Acid Binding Protein from Vibrio Cholerea | | Descriptor: | COBALT (II) ION, SULFATE ION, Sialic Acid Binding Protein | | Authors: | Ramaswamy, S, Cho, C, Apicella, M.A. | | Deposit date: | 2013-08-16 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site.
Acta Crystallogr.,Sect.D, 70, 2014
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3N8U
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4LV8
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4ME7
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4M2Z
 | | Crystal structure of RNASE III complexed with double-stranded RNA and CMP (TYPE II CLEAVAGE) | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA10, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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4M3N
 | | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804. | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | | 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, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-06 | | Release date: | 2013-08-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804.
To be Published
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4M9G
 | | DNA Polymerase Beta E295K Binary Complex | | Descriptor: | CHLORIDE ION, DNA Downstream Strand, DNA Primer Strand, ... | | Authors: | Eckenroth, B.E, Doublie, S. | | Deposit date: | 2013-08-14 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The E295K Cancer Variant of Human Polymerase beta Favors the Mismatch Conformational Pathway during Nucleotide Selection.
J.Biol.Chem., 288, 2013
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4M1F
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4MGG
 | | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Muconate lactonizing enzyme, ... | | Authors: | Vetting, M.W, Zhang, X, Wasserman, S.R, Morisco, L.L, Sojitra, S, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-28 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121
To be Published
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3NKC
 | | Crystal structure of AqpZ F43W,H174G,T183F | | Descriptor: | Aquaporin Z, octyl beta-D-glucopyranoside | | Authors: | Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2010-06-18 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4M30
 | | Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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3N97
 | | RNA polymerase alpha C-terminal domain (E. coli) and sigma region 4 (T. aq. mutant) bound to (UP,-35 element) DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*CP*CP*AP*TP*GP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*AP*AP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L. | | Deposit date: | 2010-05-28 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.252 Å) | | Cite: | The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element.
Biochemistry, 59, 2020
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3NBN
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3NEX
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3NQ1
 | | Crystal Structure of Tyrosinase from Bacillus megaterium in complex with inhibitor kojic acid | | Descriptor: | 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE, COPPER (II) ION, Tyrosinase, ... | | Authors: | Sendovski, M, Kanteev, M, Adir, N, Fishman, A. | | Deposit date: | 2010-06-29 | | Release date: | 2010-11-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | First structures of an active bacterial tyrosinase reveal copper plasticity.
J.Mol.Biol., 405, 2011
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3NQ5
 | | Crystal Structure of Tyrosinase from Bacillus megaterium R209H mutant | | Descriptor: | COPPER (II) ION, Tyrosinase, ZINC ION | | Authors: | Sendovski, M, Kanteev, M, Adir, N, Fishman, A. | | Deposit date: | 2010-06-29 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | First structures of an active bacterial tyrosinase reveal copper plasticity.
J.Mol.Biol., 405, 2011
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3O5G
 | | Fk1 domain of FKBP51, crystal form I | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
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3O5J
 | | Fk1 domain of FKBP51, crystal form III | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
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