5E63
| K262A mutant of I-SmaMI | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ... | Authors: | Shen, B, Stoddard, B. | Deposit date: | 2015-10-09 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
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4OYD
| Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor | Authors: | Shen, B, Procko, E, Baker, D, Stoddard, B. | Deposit date: | 2014-02-11 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells. Cell, 157, 2014
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4WKY
| Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-10-03 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4TKT
| Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS6 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | Authors: | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-27 | Release date: | 2014-06-11 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.4289 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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1N1A
| Crystal Structure of the N-terminal domain of human FKBP52 | Descriptor: | FKBP52 | Authors: | Li, P, Ding, Y, Wu, B, Shu, C, Shen, B, Rao, Z. | Deposit date: | 2002-10-16 | Release date: | 2002-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the N-terminal domain of human FKBP52. Acta Crystallogr.,Sect.D, 59, 2003
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7N7V
| Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. | Descriptor: | CHLORIDE ION, FE (II) ION, Predicted hydroxylase | Authors: | Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2021-06-11 | Release date: | 2022-07-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes. To Be Published
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6BBX
| Crystal structure of TnmS3 in complex with TNM C | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-10-19 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration. Cell Chem Biol, 25, 2018
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5W27
| Crystal structure of TnmS3 in complex with tiancimycin (TNM B) | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-06-05 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of TnmS3 in complex with tiancimycin (TNM B) To Be Published
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1P5Q
| Crystal Structure of FKBP52 C-terminal Domain | Descriptor: | FK506-binding protein 4, SULFATE ION | Authors: | Wu, B, Li, P, Lou, Z, Shu, C, Ding, Y, Shen, B, Rao, Z. | Deposit date: | 2003-04-28 | Release date: | 2004-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex Proc.Natl.Acad.Sci.USA, 101, 2004
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1Q1C
| Crystal structure of N(1-260) of human FKBP52 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, FK506-binding protein 4 | Authors: | Wu, B, Li, P, Lou, Z, Ding, Y, Shu, C, Shen, B, Rao, Z. | Deposit date: | 2003-07-18 | Release date: | 2004-06-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex Proc.Natl.Acad.Sci.USA, 101, 2004
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8E19
| Crystal structure of TnmK1 complexed with TNM H | Descriptor: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ... | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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8E18
| Crystal structure of apo TnmK1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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1QZ2
| Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90 | Descriptor: | 5-mer peptide from Heat shock protein HSP 90, FK506-binding protein 4 | Authors: | Wu, B, Li, P, Lou, Z, Liu, Y, Ding, Y, Shu, C, Shen, B, Rao, Z. | Deposit date: | 2003-09-15 | Release date: | 2004-06-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex. Proc.Natl.Acad.Sci.USA, 101, 2004
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1RWZ
| Crystal Structure of Proliferating Cell Nuclear Antigen (PCNA) from A. fulgidus | Descriptor: | DNA polymerase sliding clamp | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-17 | Release date: | 2004-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1RXM
| C-terminal region of FEN-1 bound to A. fulgidus PCNA | Descriptor: | DNA polymerase sliding clamp, consensus FEN-1 peptide | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-18 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1RXV
| Crystal Structure of A. Fulgidus FEN-1 bound to DNA | Descriptor: | 5'-d(*T*pA*pG*pC*pA*pT*pC*pG*pG), Flap structure-specific endonuclease | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-18 | Release date: | 2004-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1RXW
| Crystal structure of A. fulgidus FEN-1 bound to DNA | Descriptor: | 5'-d(*C*pG*pA*pT*pG*pC*pT*pA)-3', 5'-d(*T*pA*pG*pC*pA*pT*pC*pG*pG)-3', Flap structure-specific endonuclease | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-18 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1RXZ
| C-terminal region of A. fulgidus FEN-1 complexed with A. fulgidus PCNA | Descriptor: | DNA polymerase sliding clamp, Flap structure-specific endonuclease | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-18 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1J4I
| crystal structure analysis of the FKBP12 complexed with 000308 small molecule | Descriptor: | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
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1J4H
| crystal structure analysis of the FKBP12 complexed with 000107 small molecule | Descriptor: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
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1FYV
| CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR1 | Descriptor: | TOLL-LIKE RECEPTOR 1 | Authors: | Xu, Y, Tao, X, Shen, B, Horng, T, Medzhitov, R, Manley, J.L, Tong, L. | Deposit date: | 2000-10-03 | Release date: | 2000-11-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for signal transduction by the Toll/interleukin-1 receptor domains. Nature, 408, 2000
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1FYW
| CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR2 | Descriptor: | TOLL-LIKE RECEPTOR 2 | Authors: | Xu, Y, Tao, X, Shen, B, Horng, T, Medzhitov, R, Manley, J.L, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-10-03 | Release date: | 2000-11-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for signal transduction by the Toll/interleukin-1 receptor domains. Nature, 408, 2000
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1FYX
| CRYSTAL STRUCTURE OF P681H MUTANT OF TIR DOMAIN OF HUMAN TLR2 | Descriptor: | TOLL-LIKE RECEPTOR 2 | Authors: | Xu, Y, Tao, X, Shen, B, Horng, T, Medzhitov, R, Manley, J.L, Tong, L. | Deposit date: | 2000-10-03 | Release date: | 2000-11-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for signal transduction by the Toll/interleukin-1 receptor domains. Nature, 408, 2000
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1I3A
| RNASE HII FROM ARCHAEOGLOBUS FULGIDUS WITH COBALT HEXAMMINE CHLORIDE | Descriptor: | COBALT HEXAMMINE(III), RIBONUCLEASE HII | Authors: | Chapados, B.R, Chai, Q, Hosfield, D.J, Qiu, J, Shen, B, Tainer, J.A. | Deposit date: | 2001-02-13 | Release date: | 2001-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural biochemistry of a type 2 RNase H: RNA primer recognition and removal during DNA replication. J.Mol.Biol., 307, 2001
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1I39
| RNASE HII FROM ARCHAEOGLOBUS FULGIDUS | Descriptor: | RIBONUCLEASE HII | Authors: | Chapados, B.R, Chai, Q, Hosfield, D.J, Qiu, J, Shen, B, Tainer, J.A. | Deposit date: | 2001-02-13 | Release date: | 2001-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural biochemistry of a type 2 RNase H: RNA primer recognition and removal during DNA replication. J.Mol.Biol., 307, 2001
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