1X70
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![BU of 1x70 by Molmil](/molmil-images/mine/1x70) | HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K. | Deposit date: | 2004-08-12 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes J.Med.Chem., 48, 2005
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1XD3
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![BU of 1xd3 by Molmil](/molmil-images/mine/1xd3) | Crystal structure of UCHL3-UbVME complex | Descriptor: | MAGNESIUM ION, METHYL 4-AMINOBUTANOATE, UBC protein, ... | Authors: | Misaghi, S, Galardy, P.J, Meester, W.J.N, Ovaa, H, Ploegh, H.L, Gaudet, R. | Deposit date: | 2004-09-03 | Release date: | 2004-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of the Ubiquitin Hydrolase UCH-L3 Complexed with a Suicide Substrate J.Biol.Chem., 280, 2005
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1X8G
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2F3A
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2F43
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![BU of 2f43 by Molmil](/molmil-images/mine/2f43) | Rat liver F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase alpha chain, ... | Authors: | Chen, C, Saxena, A.K, Simcoke, W.N, Garboczi, D.N, Pedersen, P.L, Ko, Y.H. | Deposit date: | 2005-11-22 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mitochondrial ATP synthase: Crystal structure of the catalytic F1 unit in a vanadate-induced transition-like state and implications for mechanism. J.Biol.Chem., 281, 2006
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2FER
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![BU of 2fer by Molmil](/molmil-images/mine/2fer) | P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX | Descriptor: | Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN | Authors: | von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I. | Deposit date: | 2005-12-16 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The status of high-valent metal oxo complexes in the P450 cytochromes. J.Inorg.Biochem., 100, 2006
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1X6L
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![BU of 1x6l by Molmil](/molmil-images/mine/1x6l) | Crystal structure of S. marcescens chitinase A mutant W167A | Descriptor: | Chitinase A | Authors: | Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L. | Deposit date: | 2004-08-11 | Release date: | 2005-07-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mutation of Trp167 at the -3 subsite of the chitin-binding cleft of S. marcescens chitinase A caused enhanced transglycosylation To be Published
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1XFE
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![BU of 1xfe by Molmil](/molmil-images/mine/1xfe) | Solution structure of the LA7-EGFA pair from the LDL receptor | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor | Authors: | Beglova, N, Jeon, H, Fisher, C, Blacklow, S.C. | Deposit date: | 2004-09-14 | Release date: | 2004-11-02 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Cooperation between Fixed and Low pH-Inducible Interfaces Controls Lipoprotein Release by the LDL Receptor Mol.Cell, 16, 2004
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1XFZ
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![BU of 1xfz by Molmil](/molmil-images/mine/1xfz) | Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the presence of 1 millimolar exogenously added calcium chloride | Descriptor: | CALCIUM ION, Calmodulin 2, Calmodulin-sensitive adenylate cyclase, ... | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.J. | Deposit date: | 2004-09-15 | Release date: | 2005-05-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor. EMBO J., 24, 2005
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1X7D
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![BU of 1x7d by Molmil](/molmil-images/mine/1x7d) | Crystal Structure Analysis of Ornithine Cyclodeaminase Complexed with NAD and ornithine to 1.6 Angstroms | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-ornithine, ... | Authors: | Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E. | Deposit date: | 2004-08-13 | Release date: | 2004-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for
the u-Crystallin Family Biochemistry, 43, 2004
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2FIX
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1XJZ
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![BU of 1xjz by Molmil](/molmil-images/mine/1xjz) | Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1 | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-09-26 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity. J.Biol.Inorg.Chem., 10, 2005
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1XF9
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![BU of 1xf9 by Molmil](/molmil-images/mine/1xf9) | Structure of NBD1 from murine CFTR- F508S mutant | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | Deposit date: | 2004-09-14 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Side chain and backbone contributions of Phe508 to CFTR folding. Nat.Struct.Mol.Biol., 12, 2005
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245D
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![BU of 245d by Molmil](/molmil-images/mine/245d) | DNA-DRUG REFINEMENT: A COMPARISON OF THE PROGRAMS NUCLSQ, PROLSQ, SHELXL93 AND X-PLOR, USING THE LOW TEMPERATURE D(TGATCA)-NOGALAMYCIN STRUCTURE | Descriptor: | DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN | Authors: | Schuerman, G.S, Smith, C.K, Turkenburg, J.P, Dettmar, A.N, Van Meervelt, L, Moore, M.H. | Deposit date: | 1996-01-12 | Release date: | 1996-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | DNA-drug refinement: a comparison of the programs NUCLSQ, PROLSQ, SHELXL93 and X-PLOR, using the low-temperature d(TGATCA)-nogalamycin structure. Acta Crystallogr.,Sect.D, 52, 1996
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2A1X
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![BU of 2a1x by Molmil](/molmil-images/mine/2a1x) | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | Authors: | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-21 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease J.Biol.Chem., 280, 2005
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2FIM
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![BU of 2fim by Molmil](/molmil-images/mine/2fim) | Structure of the C-terminal domain of Human Tubby-like protein 1 | Descriptor: | 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1 | Authors: | Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C. | Deposit date: | 2005-12-29 | Release date: | 2006-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the C-terminal domain of Human Tubby-like protein 1 To be published
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269D
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![BU of 269d by Molmil](/molmil-images/mine/269d) | STRUCTURAL STUDIES ON NUCLEIC ACIDS | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5CM)P*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Partridge, B.L, Salisbury, S.A. | Deposit date: | 1996-07-12 | Release date: | 1996-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | To be Published, 1996
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2F8G
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![BU of 2f8g by Molmil](/molmil-images/mine/2f8g) | HIV-1 protease mutant I50V complexed with inhibitor TMC114 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-02 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2A74
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![BU of 2a74 by Molmil](/molmil-images/mine/2a74) | Human Complement Component C3c | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Complement Component C3c, GLYCEROL, ... | Authors: | Janssen, B.J.C, Huizinga, E.G, Raaijmakers, H.C.A, Roos, A, Daha, M.R, Nilsson-Ekdahl, K, Nilsson, B, Gros, P. | Deposit date: | 2005-07-04 | Release date: | 2005-09-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of complement component C3 provide insights into the function and evolution of immunity. Nature, 437, 2005
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2A7K
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![BU of 2a7k by Molmil](/molmil-images/mine/2a7k) | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | Descriptor: | CarB | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | Deposit date: | 2005-07-05 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis. J.Biol.Chem., 280, 2005
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2A3C
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![BU of 2a3c by Molmil](/molmil-images/mine/2a3c) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2FC1
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![BU of 2fc1 by Molmil](/molmil-images/mine/2fc1) | Heme NO Complex in NOS | Descriptor: | 7,8-DIHYDROBIOPTERIN, ARGININE, NITRIC OXIDE, ... | Authors: | Pant, K, Crane, B.R. | Deposit date: | 2005-12-10 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nitrosyl-Heme Structures of Bacillus subtilis Nitric Oxide Synthase Have Implications for Understanding Substrate Oxidation. Biochemistry, 45, 2006
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224D
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![BU of 224d by Molmil](/molmil-images/mine/224d) | DNA-DRUG REFINEMENT: A COMPARISON OF THE PROGRAMS NUCLSQ, PROLSQ, SHELXL93 AND X-PLOR, USING THE LOW TEMPERATURE D(TGATCA)-NOGALAMYCIN STRUCTURE | Descriptor: | DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN | Authors: | Schuerman, G.S, Smith, C.K, Turkenburg, J.P, Dettmar, A.N, Van Meervelt, L, Moore, M.H. | Deposit date: | 1995-08-01 | Release date: | 1995-11-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | DNA-drug refinement: a comparison of the programs NUCLSQ, PROLSQ, SHELXL93 and X-PLOR, using the low-temperature d(TGATCA)-nogalamycin structure. Acta Crystallogr.,Sect.D, 52, 1996
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2A1N
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2F1D
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![BU of 2f1d by Molmil](/molmil-images/mine/2f1d) | X-Ray Structure of imidazoleglycerol-phosphate dehydratase | Descriptor: | Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION | Authors: | Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C. | Deposit date: | 2005-11-14 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and mechanism of imidazoleglycerol-phosphate dehydratase. Structure, 13, 2005
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