1I5P
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1KEZ
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![BU of 1kez by Molmil](/molmil-images/mine/1kez) | Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin Polyketide Synthase (DEBS TE) | Descriptor: | ERYTHRONOLIDE SYNTHASE | Authors: | Tsai, S.-C, Miercke, L.J.W, Krucinski, J, Gokhale, R, Chen, J.C.-H, Foster, P.G, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2001-11-19 | Release date: | 2002-01-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the macrocycle-forming thioesterase domain of the erythromycin polyketide synthase: versatility from a unique substrate channel. Proc.Natl.Acad.Sci.USA, 98, 2001
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2Q9B
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![BU of 2q9b by Molmil](/molmil-images/mine/2q9b) | Structure of FTSY:GMPPNP Complex | Descriptor: | 1,2-ETHANEDIOL, Cell division protein ftsY, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Reyes, C.L, Stroud, R.M. | Deposit date: | 2007-06-12 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Structures of the Signal Recognition Particle Receptor Reveal Targeting Cycle Intermediates. Plos One, 2, 2007
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2Q9A
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![BU of 2q9a by Molmil](/molmil-images/mine/2q9a) | Structure of Apo FTSY | Descriptor: | 1,2-ETHANEDIOL, Cell division protein ftsY, SULFATE ION | Authors: | Reyes, C.L, Stroud, R.M. | Deposit date: | 2007-06-12 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | X-ray Structures of the Signal Recognition Particle Receptor Reveal Targeting Cycle Intermediates. Plos One, 2, 2007
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1KZI
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![BU of 1kzi by Molmil](/molmil-images/mine/1kzi) | Crystal Structure of EcTS/dUMP/THF Complex | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2002-02-06 | Release date: | 2002-07-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access. Biochemistry, 41, 2002
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1LCA
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![BU of 1lca by Molmil](/molmil-images/mine/1lca) | LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND CB3717 | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-06-22 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei. J.Mol.Biol., 232, 1993
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1KZJ
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![BU of 1kzj by Molmil](/molmil-images/mine/1kzj) | Crystal Structure of EcTS W80G/dUMP/CB3717 Complex | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2002-02-06 | Release date: | 2002-07-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access. Biochemistry, 41, 2002
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1BQ1
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![BU of 1bq1 by Molmil](/molmil-images/mine/1bq1) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-05-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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1BQ2
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![BU of 1bq2 by Molmil](/molmil-images/mine/1bq2) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-20 | Release date: | 1999-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
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1KZK
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![BU of 1kzk by Molmil](/molmil-images/mine/1kzk) | JE-2147-HIV Protease Complex | Descriptor: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Reiling, K.K, Endres, N.F, Dauber, D.S, Craik, C.S, Stroud, R.M. | Deposit date: | 2002-02-06 | Release date: | 2002-04-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Anisotropic Dynamics of the JE-2147-HIV Protease Complex:
Drug Resistance and Thermodynamic Binding Mode Examined in a 1.09 A Structure Biochemistry, 41, 2002
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1XUF
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![BU of 1xuf by Molmil](/molmil-images/mine/1xuf) | TRYPSIN-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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1NM2
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![BU of 1nm2 by Molmil](/molmil-images/mine/1nm2) | Malonyl-CoA:ACP Transacylase | Descriptor: | ACETIC ACID, NICKEL (II) ION, malonyl CoA:acyl carrier protein malonyltransferase | Authors: | Keatinge-Clay, A.T, Shelat, A.A, Savage, D.F, Tsai, S, Miercke, L.J.W, O'Connell III, J.D, Khosla, C, Stroud, R.M. | Deposit date: | 2003-01-08 | Release date: | 2003-01-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalysis, Specificity, and ACP Docking Site of
Streptomyces coelicolor Malonyl-CoA:ACP Transacylase Structure, 11, 2003
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1OSF
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![BU of 1osf by Molmil](/molmil-images/mine/1osf) | Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN, ACETIC ACID, ... | Authors: | Jez, J.M, Chen, J.C.-H, Rastelli, G, Stroud, R.M, Santi, D.V. | Deposit date: | 2003-03-19 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90 Chem.Biol., 10, 2003
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1MNA
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![BU of 1mna by Molmil](/molmil-images/mine/1mna) | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1MNQ
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![BU of 1mnq by Molmil](/molmil-images/mine/1mnq) | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1MO2
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![BU of 1mo2 by Molmil](/molmil-images/mine/1mo2) | Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5 | Descriptor: | Erythronolide synthase, modules 5 and 6 | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1YMG
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![BU of 1ymg by Molmil](/molmil-images/mine/1ymg) | The Channel Architecture of Aquaporin O at 2.2 Angstrom Resolution | Descriptor: | Lens fiber major intrinsic protein, nonyl beta-D-glucopyranoside | Authors: | Harries, W.E.C, Akhavan, D, Miercke, L.J.W, Khademi, S, Stroud, R.M. | Deposit date: | 2005-01-20 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Channel Architecture of Aquaporin 0 at a 2.2-A Resolution Proc.Natl.Acad.Sci.USA, 101, 2004
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1MN6
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![BU of 1mn6 by Molmil](/molmil-images/mine/1mn6) | Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6 | Descriptor: | polyketide synthase IV | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | Deposit date: | 2002-09-05 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases Biochemistry, 41, 2002
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1XUH
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![BU of 1xuh by Molmil](/molmil-images/mine/1xuh) | TRYPSIN-KETO-BABIM-CO+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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1YTI
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![BU of 1yti by Molmil](/molmil-images/mine/1yti) | SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1MZJ
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![BU of 1mzj by Molmil](/molmil-images/mine/1mzj) | Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway | Descriptor: | ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A | Authors: | Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M. | Deposit date: | 2002-10-08 | Release date: | 2002-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the priming beta-ketosynthase from the
R1128 polyketide biosynthetic pathway Structure, 10
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1LCB
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1XUG
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![BU of 1xug by Molmil](/molmil-images/mine/1xug) | TRYPSIN-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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1XUK
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![BU of 1xuk by Molmil](/molmil-images/mine/1xuk) | TRYPSIN-BABIM-SULFATE, PH 5.9 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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1XUI
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![BU of 1xui by Molmil](/molmil-images/mine/1xui) | TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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