1A17
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![BU of 1a17 by Molmil](/molmil-images/mine/1a17) | TETRATRICOPEPTIDE REPEATS OF PROTEIN PHOSPHATASE 5 | Descriptor: | SERINE/THREONINE PROTEIN PHOSPHATASE 5, SULFATE ION | Authors: | Das, A.K, Cohen, P.T.W, Barford, D. | Deposit date: | 1997-12-23 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The structure of the tetratricopeptide repeats of protein phosphatase 5: implications for TPR-mediated protein-protein interactions. EMBO J., 17, 1998
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1LJM
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![BU of 1ljm by Molmil](/molmil-images/mine/1ljm) | DNA recognition is mediated by conformational transition and by DNA bending | Descriptor: | CHLORIDE ION, RUNX1 transcription factor | Authors: | Bartfeld, D, Shimon, L, Couture, G.C, Rabinovich, D, Frolow, F, Levanon, D, Groner, Y, Shakked, Z. | Deposit date: | 2002-04-22 | Release date: | 2002-11-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | DNA Recognition by the RUNX1 Transcription Factor Is Mediated by an Allosteric Transition in the RUNT Domain and by DNA Bending. Structure, 10
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1A1P
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![BU of 1a1p by Molmil](/molmil-images/mine/1a1p) | COMPSTATIN, NMR, 21 STRUCTURES | Descriptor: | COMPSTATIN | Authors: | Morikis, D, Assa-Munt, N, Sahu, A, Lambris, J.D. | Deposit date: | 1997-12-12 | Release date: | 1998-04-08 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Compstatin, a potent complement inhibitor. Protein Sci., 7, 1998
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1A8C
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![BU of 1a8c by Molmil](/molmil-images/mine/1a8c) | PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERROCYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITHOUT HYDROGEN BOND CONSTRAINTS | Descriptor: | FERROCYTOCHROME C-552, HEME C | Authors: | Timkovich, R, Bergmann, D, Arciero, D.M, Hooper, A.B. | Deposit date: | 1998-03-23 | Release date: | 1998-10-21 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea. Biophys.J., 75, 1998
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1A6Q
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![BU of 1a6q by Molmil](/molmil-images/mine/1a6q) | CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION | Descriptor: | MANGANESE (II) ION, PHOSPHATASE 2C, PHOSPHATE ION | Authors: | Das, A.K, Helps, N.R, Cohen, P.T.W, Barford, D. | Deposit date: | 1998-02-27 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the protein serine/threonine phosphatase 2C at 2.0 A resolution. EMBO J., 15, 1996
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158D
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![BU of 158d by Molmil](/molmil-images/mine/158d) | CRYSTALLOGRAPHIC ANALYSIS OF C-C-A-A-G-C-T-T-G-G AND ITS IMPLICATIONS FOR BENDING IN B-DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3') | Authors: | Grzeskowiak, K, Goodsell, D.S, Kaczor-Grzeskowiak, M, Cascio, D, Dickerson, R.E. | Deposit date: | 1994-02-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA. Biochemistry, 32, 1993
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1S52
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![BU of 1s52 by Molmil](/molmil-images/mine/1s52) | Thr24Val Bacteriorhodopsin | Descriptor: | RETINAL, bacteriorhodopsin | Authors: | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | Deposit date: | 2004-01-19 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing J.Am.Chem.Soc., 126, 2004
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8WIK
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![BU of 8wik by Molmil](/molmil-images/mine/8wik) | Crystal structure of human FSP1 | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Feng, S, Huang, X, Tang, D, Qi, S. | Deposit date: | 2023-09-24 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide. MedComm (2020), 5, 2024
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152D
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![BU of 152d by Molmil](/molmil-images/mine/152d) | DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | Authors: | Lipscomb, L.A, Peek, M.E, Zhou, F.X, Bertrand, J.A, VanDerveer, D, Williams, L.D. | Deposit date: | 1993-12-13 | Release date: | 1994-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes. Biochemistry, 33, 1994
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1B93
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![BU of 1b93 by Molmil](/molmil-images/mine/1b93) | METHYLGLYOXAL SYNTHASE FROM ESCHERICHIA COLI | Descriptor: | FORMIC ACID, PHOSPHATE ION, PROTEIN (METHYLGLYOXAL SYNTHASE) | Authors: | Saadat, D, Harrison, D.H.T. | Deposit date: | 1999-02-23 | Release date: | 1999-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of methylglyoxal synthase from Escherichia coli. Structure Fold.Des., 7, 1999
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1B6M
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![BU of 1b6m by Molmil](/molmil-images/mine/1b6m) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | Descriptor: | RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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5VWQ
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![BU of 5vwq by Molmil](/molmil-images/mine/5vwq) | E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP) | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase | Authors: | Mascarenhas, R, Lehrer, H, Liu, D, Ringe, D. | Deposit date: | 2017-05-22 | Release date: | 2017-08-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover. Biochemistry, 56, 2017
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1ATL
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![BU of 1atl by Molmil](/molmil-images/mine/1atl) | Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D) | Descriptor: | CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ... | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | Deposit date: | 1995-05-26 | Release date: | 1995-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d). Proc.Natl.Acad.Sci.USA, 91, 1994
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1R7E
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![BU of 1r7e by Molmil](/molmil-images/mine/1r7e) | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure. Sample in 100mM SDS). | Descriptor: | Genome polyprotein | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | Deposit date: | 2003-10-21 | Release date: | 2004-08-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A. J.Biol.Chem., 279, 2004
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1AW1
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![BU of 1aw1 by Molmil](/molmil-images/mine/1aw1) | |
1B0X
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![BU of 1b0x by Molmil](/molmil-images/mine/1b0x) | |
7QLB
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![BU of 7qlb by Molmil](/molmil-images/mine/7qlb) | SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7QNU
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![BU of 7qnu by Molmil](/molmil-images/mine/7qnu) | SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7QNR
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![BU of 7qnr by Molmil](/molmil-images/mine/7qnr) | SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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1B60
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![BU of 1b60 by Molmil](/molmil-images/mine/1b60) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE CYTIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3') | Authors: | Cullinan, D, Johnson, F, De Los Santos, C. | Deposit date: | 1999-01-20 | Release date: | 2000-02-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of an 11-mer duplex containing the 3, N(4)-ethenocytosine adduct opposite 2'-deoxycytidine: implications for the recognition of exocyclic lesions by DNA glycosylases. J.Mol.Biol., 296, 2000
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1BDB
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![BU of 1bdb by Molmil](/molmil-images/mine/1bdb) | CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE FROM PSEUDOMONAS SP. LB400 | Descriptor: | CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Huelsmeyer, M, Hecht, H.-J, Niefind, K, Hofer, B, Timmis, K.N, Schomburg, D. | Deposit date: | 1997-05-10 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of cis-biphenyl-2,3-dihydrodiol-2,3-dehydrogenase from a PCB degrader at 2.0 A resolution. Protein Sci., 7, 1998
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2XTL
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![BU of 2xtl by Molmil](/molmil-images/mine/2xtl) | Structure of the major pilus backbone protein from Streptococcus Agalactiae | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, POTASSIUM ION | Authors: | Rinauda, D, Gourlay, L.J, Soriano, M, Grandi, G, Bolognesi, M. | Deposit date: | 2010-10-11 | Release date: | 2011-07-06 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Approach to Rationally Design a Chimeric Protein for an Effective Vaccine Against Group B Streptococcus Infections. Proc.Natl.Acad.Sci.USA, 108, 2011
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1B44
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![BU of 1b44 by Molmil](/molmil-images/mine/1b44) | CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY | Descriptor: | PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN) | Authors: | Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G. | Deposit date: | 1999-01-04 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity. J.Biol.Chem., 274, 1999
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5UNO
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![BU of 5uno by Molmil](/molmil-images/mine/5uno) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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7M7W
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![BU of 7m7w by Molmil](/molmil-images/mine/7m7w) | Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | Deposit date: | 2021-03-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
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