6C6Q
 
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6AF3
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6A4W
 | | AcrR from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Kang, S.M, Kim, D.H. | | Deposit date: | 2018-06-21 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.587 Å) | | Cite: | The crystal structure of AcrR from Mycobacterium tuberculosis reveals a one-component transcriptional regulation mechanism.
Febs Open Bio, 9, 2019
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6AL7
 | | Crystal structure HpiC1 F138S | | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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4BLR
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI12 IN COMPLEX WITH UTP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NTPASE P4, URIDINE 5'-TRIPHOSPHATE | | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-05-04 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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4BLP
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI13 | | Descriptor: | CITRATE ANION, GLYCEROL, PACKAGING ENZYME P4 | | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-05-04 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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6AL6
 | | Crystal structure HpiC1 in P42 space group | | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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6AL8
 | | Crystal structure HpiC1 Y101F/F138S | | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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4BWY
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI8 (R32) | | Descriptor: | P4 | | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-07-05 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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2Y5Z
 | | Mixed-function P450 MycG in complex with mycinamicin III in C2221 space group | | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN III, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-19 | | Release date: | 2012-02-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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2VWT
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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2VZ7
 | | Crystal structure of the YC-17-bound PikC D50N mutant | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, S, Sherman, D.H, Podust, L.M. | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009
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4AW3
 | | Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group | | Descriptor: | GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ... | | Authors: | Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M. | | Deposit date: | 2012-05-30 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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6AVL
 | | Orthorhombic Trypsin (295 K) in the presence of 50% xylose | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Juers, D.H. | | Deposit date: | 2017-09-02 | | Release date: | 2017-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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6B11
 | | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) | | Descriptor: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside, 1,2-ETHANEDIOL, 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase, ... | | Authors: | DeMars, M.D, Sherman, D.H, Podust, L.M. | | Deposit date: | 2017-09-15 | | Release date: | 2018-12-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL)
To Be Published
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6DZF
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4BLT
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI12 S292A MUTANT IN COMPLEX WITH AMPcPP | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, NTPASE P4 | | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-05-04 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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4BLQ
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI8 | | Descriptor: | P4 | | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-05-04 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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4BP2
 | | CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R. | | Deposit date: | 1990-09-07 | | Release date: | 1991-10-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
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5XZ0
 | | Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A | | Descriptor: | Staphylococcal enterotoxin B | | Authors: | Jeong, W.H, Song, D.H, Hur, G.H, Jeong, S.T. | | Deposit date: | 2017-07-11 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Structure of the staphylococcal enterotoxin B vaccine candidate S19 showing eliminated superantigen activity
Acta Crystallogr F Struct Biol Commun, 73, 2017
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2YCA
 | | Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group | | Descriptor: | GLYCEROL, MYCINAMICIN III, P-450-LIKE PROTEIN, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-03-12 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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4BX4
 | | Fitting of the bacteriophage Phi8 P1 capsid protein into cryo-EM density | | Descriptor: | P1 | | Authors: | El Omari, K, Sutton, G, Ravantti, J.J, Zhang, H, Walter, T.S, Grimes, J.M, Bamford, D.H, Stuart, D.I, Mancini, E.J. | | Deposit date: | 2013-07-08 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.7 Å) | | Cite: | Plate Tectonics of Virus Shell Assembly and Reorganization in Phage Phi8, a Distant Relative of Mammalian Reoviruses
Structure, 21, 2013
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2YI9
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus in complex with magnesium | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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2Y98
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group | | Descriptor: | CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-02-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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2YM6
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | Deposit date: | 2011-06-06 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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