1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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1R6G
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![BU of 1r6g by Molmil](/molmil-images/mine/1r6g) | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | Descriptor: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | Authors: | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | Deposit date: | 2003-10-15 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bioorg.Med.Chem.Lett., 14, 2004
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1U7D
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![BU of 1u7d by Molmil](/molmil-images/mine/1u7d) | |
1TTN
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![BU of 1ttn by Molmil](/molmil-images/mine/1ttn) | |
1TU6
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![BU of 1tu6 by Molmil](/molmil-images/mine/1tu6) | Cathepsin K complexed with a ketoamide inhibitor | Descriptor: | Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE | Authors: | Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L. | Deposit date: | 2004-06-24 | Release date: | 2004-09-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions BIOORG.MED.CHEM.LETT., 14, 2004
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1T29
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![BU of 1t29 by Molmil](/molmil-images/mine/1t29) | Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide | Descriptor: | BACH1 phosphorylated peptide, Breast cancer type 1 susceptibility protein | Authors: | Shiozaki, E.N, Gu, L, Yan, N, Shi, Y. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the BRCT repeats of BRCA1 bound to a BACH1 phosphopeptide: implications for signaling. Mol.Cell, 14, 2004
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1RRK
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![BU of 1rrk by Molmil](/molmil-images/mine/1rrk) | Crystal Structure Analysis of the Bb segment of Factor B | Descriptor: | COBALT (II) ION, Complement factor B, IODIDE ION, ... | Authors: | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | Deposit date: | 2003-12-08 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase. Mol.Cell, 14, 2004
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1RS0
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![BU of 1rs0 by Molmil](/molmil-images/mine/1rs0) | Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) | Descriptor: | Complement factor B, DIISOPROPYL PHOSPHONATE, IODIDE ION, ... | Authors: | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | Deposit date: | 2003-12-09 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase. Mol.Cell, 14, 2004
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1TXZ
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![BU of 1txz by Molmil](/molmil-images/mine/1txz) | Crystal structure of yeast ymx7, an ADP-ribose-1''-monophosphatase, complexed with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Hypothetical 32.1 kDa protein in ADH3-RCA1 intergenic region, ... | Authors: | Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-07-06 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and mechanism of ADP-ribose-1''-monophosphatase (Appr-1''-pase), a ubiquitous cellular processing enzyme. Protein Sci., 14, 2005
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1U7X
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![BU of 1u7x by Molmil](/molmil-images/mine/1u7x) | crystal structure of a mutant M. jannashii tyrosyl-tRNA synthetase specific for O-methyl-tyrosine | Descriptor: | POTASSIUM ION, Tyrosyl-tRNA synthetase | Authors: | Zhang, Y, Wang, L, Schultz, P.G, Wilson, I.A. | Deposit date: | 2004-08-04 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of apo wild-type M. jannaschii tyrosyl-tRNA synthetase (TyrRS) and an engineered TyrRS specific for O-methyl-L-tyrosine. Protein Sci., 14, 2005
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1TX8
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![BU of 1tx8 by Molmil](/molmil-images/mine/1tx8) | Bovine Trypsin complexed with AMSO | Descriptor: | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen | Authors: | Mesecar, A.D. | Deposit date: | 2004-07-02 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa Bioorg.Med.Chem.Lett., 14, 2004
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1UG3
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![BU of 1ug3 by Molmil](/molmil-images/mine/1ug3) | C-terminal portion of human eIF4GI | Descriptor: | eukaryotic protein synthesis initiation factor 4G | Authors: | Bellsolell, L, Cho-Park, P.F, Poulin, F, Sonenberg, N, Burley, S.K. | Deposit date: | 2003-06-11 | Release date: | 2005-03-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Two structurally atypical HEAT domains in the C-terminal portion of human eIF4G support binding to eIF4A and Mnk1 Structure, 14, 2006
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1TOW
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![BU of 1tow by Molmil](/molmil-images/mine/1tow) | Crystal structure of human adipocyte fatty acid binding protein in complex with a carboxylic acid ligand | Descriptor: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID, Fatty acid-binding protein, adipocyte | Authors: | Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Lundback, T, Rondahl, L, Barf, T. | Deposit date: | 2004-06-15 | Release date: | 2004-08-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorg.Med.Chem.Lett., 14, 2004
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1ST4
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![BU of 1st4 by Molmil](/molmil-images/mine/1st4) | Structure of DcpS bound to m7GpppA | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, YTTRIUM (III) ION, mRNA decapping enzyme | Authors: | Gu, M, Fabrega, C, Liu, S.W, Liu, H, Kiledjian, M, Lima, C.D. | Deposit date: | 2004-03-24 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the structure, mechanism, and regulation of scavenger mRNA decapping activity Mol.Cell, 14, 2004
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1UHH
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![BU of 1uhh by Molmil](/molmil-images/mine/1uhh) | Crystal structure of cp-aequorin | Descriptor: | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHI
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![BU of 1uhi by Molmil](/molmil-images/mine/1uhi) | Crystal structure of i-aequorin | Descriptor: | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHJ
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![BU of 1uhj by Molmil](/molmil-images/mine/1uhj) | Crystal structure of br-aequorin | Descriptor: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHK
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![BU of 1uhk by Molmil](/molmil-images/mine/1uhk) | Crystal structure of n-aequorin | Descriptor: | (2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1T7K
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![BU of 1t7k by Molmil](/molmil-images/mine/1t7k) | Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea | Descriptor: | 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE, Pol polyprotein [Contains: Protease (Retropepsin)] | Authors: | Huang, P.P, Randolph, J.T, Klein, L.L, Vasavanonda, S, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | Deposit date: | 2004-05-10 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1T4U
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![BU of 1t4u by Molmil](/molmil-images/mine/1t4u) | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | Descriptor: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | Authors: | Spurlino, J. | Deposit date: | 2004-04-30 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis BIOORG.MED.CHEM.LETT., 14, 2004
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1UZZ
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![BU of 1uzz by Molmil](/molmil-images/mine/1uzz) | Erythrina cristagalli bound to N-linked oligosaccharide and lactose | Descriptor: | CALCIUM ION, GLYCEROL, Lectin, ... | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2004-03-20 | Release date: | 2004-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology, 14, 2004
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1V5W
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![BU of 1v5w by Molmil](/molmil-images/mine/1v5w) | Crystal structure of the human Dmc1 protein | Descriptor: | Meiotic recombination protein DMC1/LIM15 homolog | Authors: | Kinebuchi, T, Kagawa, W, Enomoto, R, Ikawa, S, Shibata, T, Kurumizaka, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-26 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for octameric ring formation and DNA interaction of the human homologous-pairing protein dmc1 Mol.Cell, 14, 2004
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1UNF
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![BU of 1unf by Molmil](/molmil-images/mine/1unf) | The crystal structure of the eukaryotic FeSOD from Vigna unguiculata suggests a new enzymatic mechanism | Descriptor: | FE (III) ION, IRON SUPEROXIDE DISMUTASE | Authors: | Munoz, I.G, Moran, J.F, Becana, M, Montoya, G. | Deposit date: | 2003-09-10 | Release date: | 2004-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Crystal Structure of an Eukaryotic Iron Superoxide Dismutase Suggests Intersubunit Cooperation During Catalysis Protein Sci., 14, 2005
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1UZY
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![BU of 1uzy by Molmil](/molmil-images/mine/1uzy) | Erythrina crystagalli lectin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Lectin, ... | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2004-03-19 | Release date: | 2004-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology, 14, 2004
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1V0D
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![BU of 1v0d by Molmil](/molmil-images/mine/1v0d) | Crystal Structure of Caspase-activated DNase (CAD) | Descriptor: | DNA FRAGMENTATION FACTOR 40 KDA SUBUNIT, LEAD (II) ION, MAGNESIUM ION, ... | Authors: | Woo, E.-J, Kim, Y.-G, Kim, M.-S, Han, W.-D, Shin, S, Oh, B.-H. | Deposit date: | 2004-03-26 | Release date: | 2004-05-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Mechanism for Inactivation and Activation of Cad/Dff40 in the Apoptotic Pathway Mol.Cell, 14, 2004
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