5TVA
 
 | | A. aeolicus BioW with AMP and CoA | | Descriptor: | 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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5TV6
 | | A. aeolicus BioW with pimelate | | Descriptor: | 6-carboxyhexanoate--CoA ligase, PIMELIC ACID | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.456 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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4HXP
 | | Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXN
 | | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXK
 | | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXR
 | | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4DSL
 | | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA and Calcium | | Descriptor: | DNA (5'-D(*G*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*AP*CP*GP*AP*GP*TP*CP*CP*TP*GP*TP*AP*GP*CP*C)-3'), DNA polymerase, ... | | Authors: | Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
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4KW0
 | | Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*(1TW)P*CP*G)-3'), MAGNESIUM ION | | Authors: | Jiang, S, Gan, J, Sheng, J, Sun, H, Huang, Z. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification
TO BE PUBLISHED
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2H89
 | | Avian Respiratory Complex II with Malonate Bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
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2H88
 | | Avian Mitochondrial Respiratory Complex II at 1.8 Angstrom Resolution | | Descriptor: | AZIDE ION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
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3WG7
 | | A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H. | | Deposit date: | 2013-07-29 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
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5U0Q
 | | RNA-DNA heptamer duplex with one 2'-5'-linkage | | Descriptor: | COBALT (II) ION, DNA/RNA (5'-R(*GP*GP*AP*GP*C)-D(P*T)-R(P*A)-3'), MAGNESIUM ION, ... | | Authors: | Luo, Z, Sheng, J. | | Deposit date: | 2016-11-26 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | RNA-DNA heptamer duplex with one 2'-5'-linkage
To Be Published
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1YQ4
 | | Avian respiratory complex ii with 3-nitropropionate and ubiquinone | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ... | | Authors: | Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | | Deposit date: | 2005-02-01 | | Release date: | 2005-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | 3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
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1Z4U
 | | hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585 | | Descriptor: | (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R. | | Deposit date: | 2005-03-16 | | Release date: | 2005-06-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
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1YVF
 | | Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145 | | Descriptor: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J. | | Deposit date: | 2005-02-15 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
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4AUA
 | | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | | Deposit date: | 2012-05-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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4K7B
 | | Crystal structure of Extrinsic protein in photosystem II | | Descriptor: | Extrinsic protein in photosystem II, GLYCEROL, SULFATE ION | | Authors: | Nagao, R, Suga, M, Niikura, A, Okumura, A, Koua, F.H.M, Suzuki, T, Tomo, T, Enami, I, Shen, J.R. | | Deposit date: | 2013-04-16 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Psb31, a Novel Extrinsic Protein of Photosystem II from a Marine Centric Diatom and Implications for Its Binding and Function
Biochemistry, 52, 2013
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4LJI
 | | Crystal structure at 1.5 angstrom resolution of the PsbV2 cytochrome from the cyanobacterium thermosynechococcus elongatus | | Descriptor: | CHLORIDE ION, Cytochrome c-550-like protein, HEME C | | Authors: | Suga, M, Lai, T.-L, Sugiura, M, Shen, J.-R, Boussac, A. | | Deposit date: | 2013-07-04 | | Release date: | 2013-08-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Crystal structure at 1.5 angstrom resolution of the PsbV2 cytochrome from the cyanobacterium Thermosynechococcus elongatus
Febs Lett., 587, 2013
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2FBW
 | | Avian respiratory complex II with carboxin bound | | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | | Authors: | Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | | Deposit date: | 2005-12-10 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
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4DSI
 | | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, Se-dGTP and Calcium | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, CALCIUM ION, DNA, ... | | Authors: | Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-03-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
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1LUR
 | | Crystal Structure of the GalM/aldose Epimerase Homologue from C. elegans, Northeast Structural Genomics Target WR66 | | Descriptor: | SULFATE ION, aldose 1-epimerase | | Authors: | Keller, J.P, Xiao, R, MacDonald, L, Shen, J, Acton, T, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-05-23 | | Release date: | 2003-07-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the GalM/aldose Epimerase Homologue from C. elegans, Northeast Structural Genomics Target WR66
TO BE PUBLISHED
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1MW7
 | | X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6 | | Descriptor: | HYPOTHETICAL PROTEIN HP0162 | | Authors: | Kuzin, A, Shen, J, Keller, J.P, Xiao, R, Rost, B, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-09-27 | | Release date: | 2003-01-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6
To be published
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4NKJ
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5TKO
 | | RNA heptamer duplex with one 2'-5'-linkage | | Descriptor: | COBALT (II) ION, RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | | Authors: | Luo, Z, Sheng, J. | | Deposit date: | 2016-10-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | RNA heptamer duplex with one 2'-5'-linkage
To Be Published
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1NS5
 | | X-RAY STRUCTURE OF YBEA FROM E.COLI. NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER45 | | Descriptor: | Hypothetical protein ybeA | | Authors: | Benach, J, Shen, J, Rost, B, Xiao, R, Acton, T, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-01-27 | | Release date: | 2003-02-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of YBEA from E. coli
To be Published
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