2VEV
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![BU of 2vev by Molmil](/molmil-images/mine/2vev) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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2VF0
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![BU of 2vf0 by Molmil](/molmil-images/mine/2vf0) | CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89 | Descriptor: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ... | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | Deposit date: | 2007-10-27 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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2V11
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![BU of 2v11 by Molmil](/molmil-images/mine/2v11) | Crystal Structure of Renin with Inhibitor 6 | Descriptor: | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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2VIZ
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![BU of 2viz by Molmil](/molmil-images/mine/2viz) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas). Bioorg.Med.Chem.Lett., 18, 2008
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2V96
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![BU of 2v96 by Molmil](/molmil-images/mine/2v96) | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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3DYG
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![BU of 3dyg by Molmil](/molmil-images/mine/3dyg) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
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2V7Z
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![BU of 2v7z by Molmil](/molmil-images/mine/2v7z) | Crystal structure of the 70-kDa heat shock cognate protein from Rattus norvegicus in post-ATP hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK COGNATE 71 KDA PROTEIN, PHOSPHATE ION | Authors: | Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D. | Deposit date: | 2007-08-02 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation. J.Biol.Chem., 283, 2008
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3FQ7
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![BU of 3fq7 by Molmil](/molmil-images/mine/3fq7) | Gabaculine complex of GSAM | Descriptor: | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, Glutamate-1-semialdehyde 2,1-aminomutase | Authors: | Stetefeld, J. | Deposit date: | 2009-01-07 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Absence of a catalytic water confers resistance to the neurotoxin gabaculine. Faseb J., 24, 2010
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2V1P
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![BU of 2v1p by Molmil](/molmil-images/mine/2v1p) | Crystal Structure of the apo form of Y74F mutant E. coli tryptophanase | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TRYPTHOPANASE | Authors: | Kogan, A, Gdalevsky, G.Y, Cohen-Luria, R, Goldgur, Y, Parola, A.H, Almog, O. | Deposit date: | 2007-05-28 | Release date: | 2008-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational Changes and Loose Packing Promote E. Coli Tryptophanase Cold Lability. Bmc Struct.Biol., 9, 2009
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2VA3
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![BU of 2va3 by Molmil](/molmil-images/mine/2va3) | Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*A)-3', 5'-D(*TP*TP*CP*AP*DFTP*TP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Pallan, P.S, Egli, M. | Deposit date: | 2007-08-28 | Release date: | 2007-10-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4-Difluorotoluene. J.Biol.Chem., 282, 2007
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2V7H
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3FRY
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![BU of 3fry by Molmil](/molmil-images/mine/3fry) | Crystal structure of the CopA C-terminal metal binding domain | Descriptor: | CITRIC ACID, Probable copper-exporting P-type ATPase A | Authors: | Agarwal, S, Sazinsky, M, Arguello, J, Rosenzweig, A.C. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and interactions of the C-terminal metal binding domain of Archaeoglobus fulgidus CopA. Proteins, 78, 2010
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2UVU
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![BU of 2uvu by Molmil](/molmil-images/mine/2uvu) | Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Egli, M. | Deposit date: | 2007-03-14 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
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2V6C
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![BU of 2v6c by Molmil](/molmil-images/mine/2v6c) | |
2V85
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![BU of 2v85 by Molmil](/molmil-images/mine/2v85) | |
3G1E
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![BU of 3g1e by Molmil](/molmil-images/mine/3g1e) | X-ray crystal structure of coil 1A of human vimentin | Descriptor: | Vimentin | Authors: | Meier, M, Padilla, G.P, Herrmann, H, Wedig, T, Hergt, M, Patel, T.R, Stetefeld, J, Aebi, U, Burkhard, P. | Deposit date: | 2009-01-29 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Vimentin coil 1A-A molecular switch involved in the initiation of filament elongation. J.Mol.Biol., 390, 2009
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3GA2
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![BU of 3ga2 by Molmil](/molmil-images/mine/3ga2) | Crystal structure of the Endonuclease_V (BSU36170) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR624 | Descriptor: | Endonuclease V | Authors: | Forouhar, F, Abashidze, M, Hussain, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Owens, L, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-02-16 | Release date: | 2009-02-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the Endonuclease_V (BSU36170) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR624 To be Published
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2UZQ
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![BU of 2uzq by Molmil](/molmil-images/mine/2uzq) | Protein Phosphatase, New Crystal Form | Descriptor: | M-PHASE INDUCER PHOSPHATASE 2, PHOSPHATE ION | Authors: | Hillig, R.C, Eberspaecher, U. | Deposit date: | 2007-05-01 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | New Crystal Form of Protein Phosphatase Cdc25B Triggered by Guanidinium Chloride as an Additive To be Published
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3G3N
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![BU of 3g3n by Molmil](/molmil-images/mine/3g3n) | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | Descriptor: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Castano, T, Wang, H. | Deposit date: | 2009-02-02 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors Chemmedchem, 4, 2009
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2V0Y
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![BU of 2v0y by Molmil](/molmil-images/mine/2v0y) | Crystal structure of apo C298S tryptophanase from E.coli | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TRYPTOPHANASE | Authors: | Kogan, A, Gdalevsky, G.Y, Cohen-Luria, R, Goldgur, Y, Parola, A.H, Almog, O. | Deposit date: | 2007-05-21 | Release date: | 2008-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Changes and Loose Packing Promote E. Coli Tryptophanase Cold Lability. Bmc Struct.Biol., 9, 2009
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3U9T
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3TLM
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![BU of 3tlm by Molmil](/molmil-images/mine/3tlm) | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | Deposit date: | 2011-08-30 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle. J.Struct.Biol., 178, 2012
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3UAG
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![BU of 3uag by Molmil](/molmil-images/mine/3uag) | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Bertrand, J.A, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | Deposit date: | 1999-02-24 | Release date: | 2000-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J.Mol.Biol., 289, 1999
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2UY7
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![BU of 2uy7 by Molmil](/molmil-images/mine/2uy7) | Crystal structure of the P pilus rod subunit PapA | Descriptor: | PAP FIMBRIAL MAJOR PILIN PROTEIN, PERIPLASMID CHAPERONE PAPD PROTEIN, SULFATE ION | Authors: | Verger, D, Bullitt, E, Hultgren, S.J, Waksman, G. | Deposit date: | 2007-04-02 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the P Pilus Rod Subunit Papa. Plos Pathog., 3, 2007
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2V88
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![BU of 2v88 by Molmil](/molmil-images/mine/2v88) | |