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4HJ7	Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (GGTTAGGGT) Descriptor: DNA (5'-D(*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'), Protection of telomeres protein 1 Authors: Dickey, T.H, Wuttke, D.S. Deposit date: 2012-10-12 Release date: 2012-12-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.783 Å) Cite: Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes. Structure, 21, 2013
3NL6	The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, THIAMIN PHOSPHATE, ... Authors: Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. Deposit date: 2010-06-21 Release date: 2010-11-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.612 Å) Cite: Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
4HJD	GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern Descriptor: GCN4pLI(alpha/beta/acyclic gamma) Authors: Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. Deposit date: 2012-10-12 Release date: 2013-06-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water. J.Am.Chem.Soc., 135, 2013
4HJM	Crystal structure of Glutaredoxin 1 from Plasmodium falciparum (PfGrx1) solved by S-SAD Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin Authors: Manickam, Y, Sharma, A. Deposit date: 2012-10-13 Release date: 2013-12-25 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (1.5462 Å) Cite: Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins. Acta Crystallogr.,Sect.D, 70, 2014
3NC8	Crystal Structure of BlaC-E166A covalently bound with Mecillinam Descriptor: 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION Authors: Tremblay, L.W, Blanchard, J.S. Deposit date: 2010-06-04 Release date: 2011-12-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: BlaC-E166A covalently bound with cephalosporins and penicillins To be Published
4HRQ	Identification of Function and Mechanistic Insights of Guanine Deaminase from Nitrosomonas europaea: Role of the C-terminal Loop in Catalysis Descriptor: 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION Authors: Anand, R, Bitra, A, Bhukya, H, Tanwar, A.S. Deposit date: 2012-10-28 Release date: 2013-06-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Identification of function and mechanistic insights of guanine deaminase from Nitrosomonas europaea: role of the C-terminal loop in catalysis Biochemistry, 52, 2013
4HM3	Naphthalene 1,2-Dioxygenase bound to ethylbenzene Descriptor: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... Authors: Ferraro, D.J, Ramaswamy, S. Deposit date: 2012-10-17 Release date: 2013-10-30 Last modified: 2013-12-25 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Naphthalene 1,2-Dioxygenase bound to ethylbenzene To be Published
4HSO	Crystal structure of S213G variant DAH7PS from Neisseria meningitidis Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... Authors: Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. Deposit date: 2012-10-30 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine. Protein Sci., 22, 2013
4HO6	Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and UTP Descriptor: Glucose-1-phosphate thymidylyltransferase, SULFATE ION, URIDINE 5'-TRIPHOSPHATE, ... Authors: Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C. Deposit date: 2012-10-22 Release date: 2013-10-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and UTP TO BE PUBLISHED
3NHU	X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 Descriptor: 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... Authors: Sturdy, M. Deposit date: 2010-06-14 Release date: 2012-01-11 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 To be Published
4HOC	Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-N-acetylglucosamine Descriptor: Glucose-1-phosphate thymidylyltransferase, SULFATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE Authors: Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C. Deposit date: 2012-10-22 Release date: 2013-10-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-N-acetylglucosamine TO BE PUBLISHED
4HUU	Crystal Structure of H2Db-NPM6I Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... Authors: Gras, S, Twist, K.A, Rossjohn, J. Deposit date: 2012-11-04 Release date: 2013-02-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Preemptive priming readily overcomes structure-based mechanisms of virus escape. Proc.Natl.Acad.Sci.USA, 110, 2013
4HON	Crystal structure of human JMJD2D/KDM4D in complex with an H3K9me3 peptide and 2-oxoglutarate Descriptor: 1,3-PROPANDIOL, 2-OXOGLUTARIC ACID, Histone H3 Peptide, ... Authors: Krishnan, S, Trievel, R.C. Deposit date: 2012-10-22 Release date: 2012-11-21 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.799 Å) Cite: Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases. Structure, 21, 2013
4HIA	Crystal Structure of Rhodobacter Sphaeroides LOV protein Descriptor: FLAVIN MONONUCLEOTIDE, LOV protein, SULFATE ION Authors: Crane, B.R, Conrad, K.S, Bilwes, A.M. Deposit date: 2012-10-11 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.952 Å) Cite: Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry, 52, 2013
4HP8	Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from Agrobacterium Tumefaciens (target EFI-506435) with bound NADP Descriptor: 2-deoxy-D-gluconate 3-dehydrogenase, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Vetting, M.W, Bouvier, J.T, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2012-10-23 Release date: 2012-11-07 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from Agrobacterium Tumefaciens (target EFI-506435) with bound NADP To be Published
3NO8	Crystal structure of the PHR domain from human BTBD2 Protein Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION Authors: Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2010-06-24 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the PHR domain from human BTBD2 Protein To be Published
4HNJ	Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution Descriptor: Bcl-2-binding component 3, Bcl-2-like protein 1 Authors: Fisher, J.C, Yun, M.K, White, S.W. Deposit date: 2012-10-19 Release date: 2013-01-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis. Nat.Chem.Biol., 9, 2013
3NRO	Crystal Structure of putative transcriptional factor Lmo1026 from Listeria monocytogenes (FRAGMENT 52-321), Northeast Structural Genomics Consortium Target LmR194 Descriptor: Lmo1026 protein Authors: Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) Deposit date: 2010-06-30 Release date: 2010-08-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Northeast Structural Genomics Consortium Target LmR194 To be Published
4HSZ	Structure of truncated (delta8C) S100A4 Descriptor: CALCIUM ION, Protein S100-A4 Authors: Ramagopal, U.A, Dulyaninova, N.G, Kumar, P.R, Almo, S.C, Bresnick, A.R, New York Structural Genomics Research Consortium (NYSGRC) Deposit date: 2012-10-31 Release date: 2013-01-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structure of truncated (delta8C) S100A4 To be Published
3NV7	Crystal structure of H.pylori phosphopantetheine adenylyltransferase mutant I4V/N76Y Descriptor: ACETIC ACID, Phosphopantetheine adenylyltransferase, SULFATE ION Authors: Chen, C.H, Cheng, C.S, Yin, H.S. Deposit date: 2010-07-08 Release date: 2011-07-13 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal structure of H.pylori phosphopantetheine adenylyltransferase mutant I4V/N76Y To be Published
3NVZ	Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3-Aldehyde Descriptor: 1H-INDOLE-3-CARBALDEHYDE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... Authors: Cao, H, Hille, R. Deposit date: 2010-07-08 Release date: 2011-01-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine. Biochemistry, 53, 2014
4HSX	Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata with 4-bromophenol Descriptor: 4-BROMOPHENOL, Dehaloperoxidase A, GLYCEROL, ... Authors: Thompson, M.K, Plummer, A, Franzen, S. Deposit date: 2012-10-31 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Role of polarity of the distal pocket in the control of inhibitor binding in dehaloperoxidase-hemoglobin. Biochemistry, 52, 2013
3O0I	Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54 Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, HSP90AA1 protein Authors: Seidler, P.M, Gewirth, D.T. Deposit date: 2010-07-19 Release date: 2011-10-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2. Nat.Chem.Biol., 9, 2013
4HIO	Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (GGTAACGGT) Descriptor: DNA (5'-D(*GP*GP*TP*AP*AP*CP*GP*GP*T)-3'), Protection of telomeres protein 1 Authors: Dickey, T.H, McKercher, M.A, Wuttke, D.S. Deposit date: 2012-10-11 Release date: 2012-12-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.753 Å) Cite: Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes. Structure, 21, 2013
4HJ4	Crystal Structure of Rhodobacter Sphaeroides LOV protein Descriptor: FLAVIN MONONUCLEOTIDE, LOV protein Authors: Crane, B.R, Conrad, K.S, Bilwes, A.M. Deposit date: 2012-10-12 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry, 52, 2013

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