2PP0
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![BU of 2pp0 by Molmil](/molmil-images/mine/2pp0) | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 | Descriptor: | GLYCEROL, L-talarate/Galactarate Dehydratase | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2. Biochemistry, 46, 2007
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2Q87
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2PP3
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![BU of 2pp3 by Molmil](/molmil-images/mine/2pp3) | Crystal structure of L-talarate/galactarate dehydratase mutant K197A liganded with Mg and L-glucarate | Descriptor: | L-GLUCARIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2. Biochemistry, 46, 2007
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2PVA
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![BU of 2pva by Molmil](/molmil-images/mine/2pva) | OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS | Descriptor: | DITHIANE DIOL, PENICILLIN V ACYLASE | Authors: | Suresh, C.G, Pundle, A.V, Rao, K.N, SivaRaman, H, Brannigan, J.A, McVey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G. | Deposit date: | 1998-11-13 | Release date: | 2000-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members. Nat.Struct.Biol., 6, 1999
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2PP1
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![BU of 2pp1 by Molmil](/molmil-images/mine/2pp1) | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate | Descriptor: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2. Biochemistry, 46, 2007
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2Q6B
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![BU of 2q6b by Molmil](/molmil-images/mine/2q6b) | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-06-04 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2Q81
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![BU of 2q81 by Molmil](/molmil-images/mine/2q81) | Crystal Structure of the Miz-1 BTB/POZ domain | Descriptor: | Miz-1 protein, TETRAETHYLENE GLYCOL | Authors: | Stead, M.A, Trinh, C.H, Garnett, J.A, Carr, S.B, Edwards, T.A, Wright, S.C. | Deposit date: | 2007-06-08 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Beta-Sheet Interaction Interface Directs the Tetramerisation of the Miz-1 POZ Domain J.Mol.Biol., 373, 2007
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2OIH
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![BU of 2oih by Molmil](/molmil-images/mine/2oih) | Hepatitis Delta Virus gemonic ribozyme precursor with C75U mutation and bound to monovalent cation Tl+ | Descriptor: | HDV ribozyme, THALLIUM (I) ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Ding, F, Batchelor, J.D, Doudna, J.A. | Deposit date: | 2007-01-11 | Release date: | 2007-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural roles of monovalent cations in the HDV ribozyme. Structure, 15, 2007
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2OJ3
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![BU of 2oj3 by Molmil](/molmil-images/mine/2oj3) | Hepatitis Delta Virus ribozyme precursor structure, with C75U mutation, bound to Tl+ and cobalt hexammine (Co(NH3)63+) | Descriptor: | COBALT HEXAMMINE(III), HDV RIBOZYME, THALLIUM (I) ION, ... | Authors: | Ke, A, Ding, F, Batchelor, J.D, Doudna, J.A. | Deposit date: | 2007-01-12 | Release date: | 2007-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural roles of monovalent cations in the HDV ribozyme. Structure, 15, 2007
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2O1G
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2QAB
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![BU of 2qab by Molmil](/molmil-images/mine/2qab) | Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound | Descriptor: | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-14 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QA6
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![BU of 2qa6 by Molmil](/molmil-images/mine/2qa6) | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-14 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QE4
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![BU of 2qe4 by Molmil](/molmil-images/mine/2qe4) | Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | Authors: | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T. | Deposit date: | 2007-06-22 | Release date: | 2007-09-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring. Bioorg.Med.Chem.Lett., 17, 2007
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2OP3
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![BU of 2op3 by Molmil](/molmil-images/mine/2op3) | The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | Authors: | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | Deposit date: | 2007-01-26 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007
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2P8C
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![BU of 2p8c by Molmil](/molmil-images/mine/2p8c) | Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg. | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE | Authors: | Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-03-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
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2P5L
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![BU of 2p5l by Molmil](/molmil-images/mine/2p5l) | Crystal structure of a dimer of N-terminal domains of AhrC in complex with an 18bp DNA operator site | Descriptor: | Arginine repressor, DNA (5'-D(*DCP*DAP*DTP*DGP*DAP*DAP*DTP*DAP*DAP*DAP*DAP*DAP*DTP*DTP*DCP*DAP*DAP*DG)-3'), DNA (5'-D(*DCP*DTP*DTP*DGP*DAP*DAP*DTP*DTP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DG)-3'), ... | Authors: | Garnett, J.A, Marincs, F, Baumberg, S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 2007-03-15 | Release date: | 2008-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and function of the arginine repressor-operator complex from Bacillus subtilis. J.Mol.Biol., 379, 2008
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2P88
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![BU of 2p88 by Molmil](/molmil-images/mine/2p88) | Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein | Authors: | Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-03-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
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2QS6
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![BU of 2qs6 by Molmil](/molmil-images/mine/2qs6) | Structure of a Hoogsteen antiparallel duplex with extra-helical thymines | Descriptor: | DNA (5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DCP*DT)-3') | Authors: | Pous, J, Urpi, L, Subirana, J.A, Gouyette, C, Navaza, J, Campos, J.L. | Deposit date: | 2007-07-30 | Release date: | 2008-03-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Stabilization by extra-helical thymines of a DNA duplex with Hoogsteen base pairs. J.Am.Chem.Soc., 130, 2008
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2QA7
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2QQ9
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![BU of 2qq9 by Molmil](/molmil-images/mine/2qq9) | Crystal Structure of DtxR(D6A C102D) Complexed with Nickel(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2007-07-26 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR. Biochemistry, 46, 2007
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2QQP
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2QVW
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![BU of 2qvw by Molmil](/molmil-images/mine/2qvw) | |
2R27
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![BU of 2r27 by Molmil](/molmil-images/mine/2r27) | Constitutively zinc-deficient mutant of human superoxide dismutase (SOD), C6A, H80S, H83S, C111S | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn] | Authors: | Roberts, B.R, Getzoff, E.D, Karplus, P.A, Beckman, J.S, Tainer, J.A. | Deposit date: | 2007-08-24 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of zinc-deficient human superoxide dismutase and implications for ALS. J.Mol.Biol., 373, 2007
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2R4F
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![BU of 2r4f by Molmil](/molmil-images/mine/2r4f) | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-08-31 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. J.Med.Chem., 51, 2008
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2QH6
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![BU of 2qh6 by Molmil](/molmil-images/mine/2qh6) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound | Descriptor: | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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