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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1DSM
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![BU of 1dsm by Molmil](/molmil-images/mine/1dsm) | (-)-duocarmycin SA covalently linked to duplex DNA | Descriptor: | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, 5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3' | Authors: | Smith, J.A, Case, D.A, Chazin, W.J. | Deposit date: | 1999-03-27 | Release date: | 1999-04-02 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The structural basis for in situ activation of DNA alkylation by duocarmycin SA J.Mol.Biol., 300, 2000
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1PZN
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![BU of 1pzn by Molmil](/molmil-images/mine/1pzn) | Rad51 (RadA) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA repair and recombination protein rad51, GLYCEROL, ... | Authors: | Shin, D.S, Tainer, J.A. | Deposit date: | 2003-07-12 | Release date: | 2003-09-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Full-length archaeal Rad51 structure and mutants: Mechanisms for RAD51 assembly and control by BRCA2 Embo J., 22, 2003
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2A8X
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![BU of 2a8x by Molmil](/molmil-images/mine/2a8x) | Crystal Structure of Lipoamide Dehydrogenase from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Rajashankar, K.R, Bryk, R, Kniewel, R, Buglino, J.A, Nathan, C.F, Lima, C.D. | Deposit date: | 2005-07-10 | Release date: | 2005-08-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and functional analysis of lipoamide dehydrogenase from Mycobacterium tuberculosis J.Biol.Chem., 280, 2005
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1Q4L
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![BU of 1q4l by Molmil](/molmil-images/mine/1q4l) | GSK-3 Beta complexed with Inhibitor I-5 | Descriptor: | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | Deposit date: | 2003-08-04 | Release date: | 2003-10-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors J.Mol.Biol., 333, 2003
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1DTZ
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![BU of 1dtz by Molmil](/molmil-images/mine/1dtz) | STRUCTURE OF CAMEL APO-LACTOFERRIN DEMONSTRATES ITS DUAL ROLE IN SEQUESTERING AND TRANSPORTING FERRIC IONS SIMULTANEOUSLY:CRYSTAL STRUCTURE OF CAMEL APO-LACTOFERRIN AT 2.6A RESOLUTION. | Descriptor: | APO LACTOFERRIN | Authors: | Khan, J.A, Kumar, P, Paramasivam, M, Srinivasan, A, Yadav, R.S, Sahani, M.S, Singh, T.P. | Deposit date: | 2000-01-13 | Release date: | 2001-06-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Camel lactoferrin, a transferrin-cum-lactoferrin: crystal structure of camel apolactoferrin at 2.6 A resolution and structural basis of its dual role. J.Mol.Biol., 309, 2001
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2XXA
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![BU of 2xxa by Molmil](/molmil-images/mine/2xxa) | The Crystal Structure of the Signal Recognition Particle (SRP) in Complex with its Receptor(SR) | Descriptor: | 4.5S RNA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Ataide, S.F, Schmitz, N, Shen, K, Ke, A, Shan, S, Doudna, J.A, Ban, N. | Deposit date: | 2010-11-09 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.94 Å) | Cite: | The Crystal Structure of the Signal Recognition Particle in Complex with its Receptor. Science, 331, 2011
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1PKJ
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![BU of 1pkj by Molmil](/molmil-images/mine/1pkj) | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | Deposit date: | 2003-06-05 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol., 331, 2003
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1PL4
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![BU of 1pl4 by Molmil](/molmil-images/mine/1pl4) | Crystal Structure of human MnSOD Y166F mutant | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Fan, L, Tainer, J.A. | Deposit date: | 2003-06-06 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase J.Biol.Chem., 279, 2004
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1W3B
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![BU of 1w3b by Molmil](/molmil-images/mine/1w3b) | The superhelical TPR domain of O-linked GlcNAc transferase reveals structural similarities to importin alpha. | Descriptor: | CALCIUM ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 | Authors: | Jinek, M, Rehwinkel, J, Lazarus, B.D, Izaurralde, E, Hanover, J.A, Conti, E. | Deposit date: | 2004-07-14 | Release date: | 2004-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Superhelical Tpr-Repeat Domain of O-Linked Glcnac Transferase Exhibits Structural Similarities to Importin Alpha Nat.Struct.Mol.Biol., 11, 2004
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1DFW
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![BU of 1dfw by Molmil](/molmil-images/mine/1dfw) | CONFORMATIONAL MAPPING OF THE N-TERMINAL SEGMENT OF SURFACTANT PROTEIN B IN LIPID USING 13C-ENHANCED FOURIER TRANSFORM INFRARED SPECTROSCOPY (FTIR) | Descriptor: | LUNG SURFACTANT PROTEIN B | Authors: | Gordon, L.M, Lee, K.Y.C, Lipp, M.M, Zasadzinski, J.A, Walther, F.J, Sherman, M.A, Waring, A.J. | Deposit date: | 1999-11-22 | Release date: | 1999-12-10 | Last modified: | 2024-02-07 | Method: | INFRARED SPECTROSCOPY | Cite: | Conformational mapping of the N-terminal segment of surfactant protein B in lipid using 13C-enhanced Fourier transform infrared spectroscopy. J.Pept.Res., 55, 2000
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2Y2D
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![BU of 2y2d by Molmil](/molmil-images/mine/2y2d) | crystal structure of AmpD holoenzyme | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | Deposit date: | 2010-12-14 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism. J.Biol.Chem., 286, 2011
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2XB7
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![BU of 2xb7 by Molmil](/molmil-images/mine/2xb7) | Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | Deposit date: | 2010-04-08 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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1DCA
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![BU of 1dca by Molmil](/molmil-images/mine/1dca) | |
1DCH
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![BU of 1dch by Molmil](/molmil-images/mine/1dch) | CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR | Descriptor: | DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION | Authors: | Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T. | Deposit date: | 1995-01-24 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator. Science, 268, 1995
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1QUM
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![BU of 1qum by Molmil](/molmil-images/mine/1qum) | CRYSTAL STRUCTURE OF ESCHERICHIA COLI ENDONUCLEASE IV IN COMPLEX WITH DAMAGED DNA | Descriptor: | 5'-D(*(3DR)P*CP*GP*AP*CP*GP*A)-3', 5'-D(*CP*GP*TP*CP*C)-3', 5'-D(*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*G)-3', ... | Authors: | Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A. | Deposit date: | 1999-07-01 | Release date: | 1999-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis. Cell(Cambridge,Mass.), 98, 1999
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2Y1X
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![BU of 2y1x by Molmil](/molmil-images/mine/2y1x) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | Descriptor: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ... | Authors: | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | Deposit date: | 2010-12-10 | Release date: | 2011-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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1QH0
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![BU of 1qh0 by Molmil](/molmil-images/mine/1qh0) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LEU 76 MUTATED BY ASP AND LEU 78 MUTATED BY ASP | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (FERREDOXIN:NADP+ REDUCTASE), SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 1999-05-10 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Role of a cluster of hydrophobic residues near the FAD cofactor in Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal complex formation and electron transfer to ferredoxin. J.Biol.Chem., 276, 2001
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1QM4
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![BU of 1qm4 by Molmil](/molmil-images/mine/1qm4) | Methionine Adenosyltransferase Complexed with a L-Methionine Analogue | Descriptor: | L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, METHIONINE ADENOSYLTRANSFERASE, ... | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | Deposit date: | 1999-09-20 | Release date: | 2000-09-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The Crystal Structure of Tetrameric Methionine Adenosyltransferase from Rat Liver Reveals the Methionine-Binding Site J.Mol.Biol., 300, 2000
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1DCB
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![BU of 1dcb by Molmil](/molmil-images/mine/1dcb) | |
2XLI
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![BU of 2xli by Molmil](/molmil-images/mine/2xli) | Crystal structure of the Csy4-crRNA complex, monoclinic form | Descriptor: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | Authors: | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | Deposit date: | 2010-07-20 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease. Science, 329, 2010
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1QTW
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![BU of 1qtw by Molmil](/molmil-images/mine/1qtw) | HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI DNA REPAIR ENZYME ENDONUCLEASE IV | Descriptor: | ENDONUCLEASE IV, ZINC ION | Authors: | Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A. | Deposit date: | 1999-06-29 | Release date: | 1999-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis. Cell(Cambridge,Mass.), 98, 1999
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1DE4
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![BU of 1de4 by Molmil](/molmil-images/mine/1de4) | HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, CALCIUM ION, ... | Authors: | Bennett, M.J, Lebron, J.A, Bjorkman, P.J. | Deposit date: | 1999-11-12 | Release date: | 2000-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the hereditary haemochromatosis protein HFE complexed with transferrin receptor. Nature, 403, 2000
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1DGG
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![BU of 1dgg by Molmil](/molmil-images/mine/1dgg) | HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX | Descriptor: | CATALASE, CYANIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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1DGF
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![BU of 1dgf by Molmil](/molmil-images/mine/1dgf) | HUMAN ERYTHROCYTE CATALASE | Descriptor: | ACETATE ION, CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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