1W4K
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![BU of 1w4k by Molmil](/molmil-images/mine/1w4k) | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
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3FRU
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![BU of 3fru by Molmil](/molmil-images/mine/3fru) | NEONATAL FC RECEPTOR, PH 6.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, BETA-MERCAPTOETHANOL, ... | Authors: | Vaughn, D.E, Burmeister, W.P, Bjorkman, P.J. | Deposit date: | 1997-12-22 | Release date: | 1998-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of pH-dependent antibody binding by the neonatal Fc receptor. Structure, 6, 1998
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5NMG
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![BU of 5nmg by Molmil](/molmil-images/mine/5nmg) | 868 TCR in complex with HLA A02 presenting SLYFNTIAVL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope. Front Immunol, 8, 2017
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5NQ3
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![BU of 5nq3 by Molmil](/molmil-images/mine/5nq3) | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ... | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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4OHU
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![BU of 4ohu by Molmil](/molmil-images/mine/4ohu) | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-01-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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3LMJ
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![BU of 3lmj by Molmil](/molmil-images/mine/3lmj) | Structure of human anti HIV 21c Fab | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Heavy chain of anti HIV Fab from human 21c antibody, Light chain of anti HIV Fab from human 21c antibody | Authors: | Diskin, R, Marcovecchio, P.M, Bjorkman, P.J. | Deposit date: | 2010-01-30 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a clade C HIV-1 gp120 bound to CD4 and CD4-induced antibody reveals anti-CD4 polyreactivity. Nat.Struct.Mol.Biol., 17, 2010
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1XZ3
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![BU of 1xz3 by Molmil](/molmil-images/mine/1xz3) | Complex of apoferritin with isoflurane | Descriptor: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, CADMIUM ION, Ferritin light chain | Authors: | Liu, R, Loll, P.J, Eckenhoff, R.G. | Deposit date: | 2004-11-11 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for high-affinity volatile anesthetic binding in a natural 4-helix bundle protein. Faseb J., 19, 2005
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5VGB
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![BU of 5vgb by Molmil](/molmil-images/mine/5vgb) | Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9. Cell, 170, 2017
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3LQA
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![BU of 3lqa by Molmil](/molmil-images/mine/3lqa) | Crystal structure of clade C gp120 in complex with sCD4 and 21c Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, Heavy chain of anti HIV Fab from human 21c antibody, ... | Authors: | Diskin, R, Marcovecchio, P.M, Bjorkman, P.J. | Deposit date: | 2010-02-08 | Release date: | 2010-04-07 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a clade C HIV-1 gp120 bound to CD4 and CD4-induced antibody reveals anti-CD4 polyreactivity. Nat.Struct.Mol.Biol., 17, 2010
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2V45
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![BU of 2v45 by Molmil](/molmil-images/mine/2v45) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-27 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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1XZ1
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![BU of 1xz1 by Molmil](/molmil-images/mine/1xz1) | Complex of halothane with apoferritin | Descriptor: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, CADMIUM ION, Ferritin light chain | Authors: | Liu, R, Loll, P.J, Eckenhoff, R.G. | Deposit date: | 2004-11-11 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for high-affinity volatile anesthetic binding in a natural 4-helix bundle protein. Faseb J., 19, 2005
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5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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3PFK
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![BU of 3pfk by Molmil](/molmil-images/mine/3pfk) | |
1V1K
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![BU of 1v1k by Molmil](/molmil-images/mine/1v1k) | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | Descriptor: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2004-04-16 | Release date: | 2004-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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5XF3
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![BU of 5xf3 by Molmil](/molmil-images/mine/5xf3) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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5XF5
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![BU of 5xf5 by Molmil](/molmil-images/mine/5xf5) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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5NPZ
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![BU of 5npz by Molmil](/molmil-images/mine/5npz) | Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting EFEDLTFLA | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | Deposit date: | 2017-04-19 | Release date: | 2018-05-02 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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5WCI
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![BU of 5wci by Molmil](/molmil-images/mine/5wci) | Human MYST histone acetyltransferase 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Human MYST histone acetyltransferase 1 to be published
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3LSV
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![BU of 3lsv by Molmil](/molmil-images/mine/3lsv) | |
5WCG
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![BU of 5wcg by Molmil](/molmil-images/mine/5wcg) | SET and MYND Domain Containing protein 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of SMYD2 in complex with compound MTF003 to be published
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3K5K
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![BU of 3k5k by Molmil](/molmil-images/mine/3k5k) | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-07 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J.Med.Chem., 52, 2009
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5SVA
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![BU of 5sva by Molmil](/molmil-images/mine/5sva) | Mediator-RNA Polymerase II Pre-Initiation Complex | Descriptor: | 108bp HIS4 Promoter Non-template Strand (-92/+16), 108bp HIS4 Promoter Template Strand (+16/-92), DNA repair helicase RAD25, ... | Authors: | Robinson, P.J, Bushnell, D.A, Kornberg, R.D. | Deposit date: | 2016-08-05 | Release date: | 2016-09-28 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (15.3 Å) | Cite: | Structure of a Complete Mediator-RNA Polymerase II Pre-Initiation Complex. Cell, 166, 2016
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5WP0
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![BU of 5wp0 by Molmil](/molmil-images/mine/5wp0) | Crystal structure of NAD synthetase NadE from Vibrio fischeri | Descriptor: | NH(3)-dependent NAD(+) synthetase | Authors: | Stogios, P.J, Evdokimova, E, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-08-03 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of NAD synthetase NadE from Vibrio fischeri To Be Published
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5MER
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![BU of 5mer by Molmil](/molmil-images/mine/5mer) | Human Leukocyte Antigen A02 presenting ILAKFLHEL | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase. J. Biol. Chem., 292, 2017
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1XBD
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![BU of 1xbd by Molmil](/molmil-images/mine/1xbd) | INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI XYLANASE D, NMR, 5 STRUCTURES | Descriptor: | XYLANASE D | Authors: | Simpson, P.J, Bolam, D.N, Cooper, A, Ciruela, A, Hazlewood, G.P, Gilbert, H.J, Williamson, M.P. | Deposit date: | 1998-10-16 | Release date: | 1999-07-21 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity. Structure Fold.Des., 7, 1999
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