1CYJ
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![BU of 1cyj by Molmil](/molmil-images/mine/1cyj) | CYTOCHROME C6 | Descriptor: | CADMIUM ION, CYTOCHROME C6, HEME C | Authors: | Kerfeld, C.A, Yeates, T.O. | Deposit date: | 1995-05-09 | Release date: | 1996-01-29 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of chloroplast cytochrome c6 at 1.9 A resolution: evidence for functional oligomerization. J.Mol.Biol., 250, 1995
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2Q5K
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![BU of 2q5k by Molmil](/molmil-images/mine/2q5k) | Crystal structure of lopinavir bound to wild type HIV-1 protease | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-06-01 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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1H08
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![BU of 1h08 by Molmil](/molmil-images/mine/1h08) | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-11 | Release date: | 2003-07-11 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (1.8 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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1H01
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![BU of 1h01 by Molmil](/molmil-images/mine/1h01) | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.79 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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1GUE
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![BU of 1gue by Molmil](/molmil-images/mine/1gue) | SENSORY RHODOPSIN II | Descriptor: | CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II | Authors: | Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M. | Deposit date: | 2002-01-24 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor Structure, 10, 2002
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2Q55
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![BU of 2q55 by Molmil](/molmil-images/mine/2q55) | Crystal structure of KK44 bound to HIV-1 protease | Descriptor: | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-05-31 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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1FQM
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![BU of 1fqm by Molmil](/molmil-images/mine/1fqm) | X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | Deposit date: | 2000-09-06 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
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2PTV
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![BU of 2ptv by Molmil](/molmil-images/mine/2ptv) | Structure of NK cell receptor ligand CD48 | Descriptor: | CD48 antigen | Authors: | Deng, L, Velikovsky, C.A, Mariuzza, R.A. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of natural killer receptor 2B4 bound to CD48 reveals basis for heterophilic recognition in signaling lymphocyte activation molecule family. Immunity, 27, 2007
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2Q3K
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![BU of 2q3k by Molmil](/molmil-images/mine/2q3k) | |
1F7A
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![BU of 1f7a by Molmil](/molmil-images/mine/1f7a) | |
3BVO
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![BU of 3bvo by Molmil](/molmil-images/mine/3bvo) | Crystal structure of human co-chaperone protein HscB | Descriptor: | Co-chaperone protein HscB, mitochondrial precursor, SULFATE ION, ... | Authors: | Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2008-01-07 | Release date: | 2008-01-15 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domain. J.Biol.Chem., 283, 2008
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3BOM
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![BU of 3bom by Molmil](/molmil-images/mine/3bom) | Crystal structure of trout hemoglobin at 1.35 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... | Authors: | Aranda IV, R, Bingman, C.A, Bitto, E, Wesenberg, G.E, Richards, M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-12-17 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Trout Hemoglobin Crystal Structure at 1.35 Angstroms Resolution. To be Published
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1H07
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![BU of 1h07 by Molmil](/molmil-images/mine/1h07) | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, 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: | 2002-06-11 | Release date: | 2003-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 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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1H9O
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![BU of 1h9o by Molmil](/molmil-images/mine/1h9o) | PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A | Descriptor: | BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE | Authors: | Pauptit, R.A, Rowsell, S, Breeze, A.L, Murshudov, G.N, Dennis, C.A, Derbyshire, D.J, Weston, S.A. | Deposit date: | 2001-03-14 | Release date: | 2001-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex Acta Crystallogr.,Sect.D, 57, 2001
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2OYU
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![BU of 2oyu by Molmil](/molmil-images/mine/2oyu) | Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Harman, C.A, Garavito, R.M. | Deposit date: | 2007-02-23 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides. J.Biol.Chem., 282, 2007
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2QH3
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![BU of 2qh3 by Molmil](/molmil-images/mine/2qh3) | |
2QI7
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![BU of 2qi7 by Molmil](/molmil-images/mine/2qi7) | Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-07-03 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI6
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![BU of 2qi6 by Molmil](/molmil-images/mine/2qi6) | Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease | Descriptor: | N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-07-03 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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3BUJ
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![BU of 3buj by Molmil](/molmil-images/mine/3buj) | Crystal Structure of CalO2 | Descriptor: | CalO2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2008-01-02 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway. Proteins, 74, 2009
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1H00
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![BU of 1h00 by Molmil](/molmil-images/mine/1h00) | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)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: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 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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2MZZ
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![BU of 2mzz by Molmil](/molmil-images/mine/2mzz) | NMR structure of APOBEC3G NTD variant, sNTD | Descriptor: | Apolipoprotein B mRNA-editing enzyme, catalytic polypeptide-like 3G variant, ZINC ION | Authors: | Kouno, T, Luengas, E.M, Shigematu, M, Shandilya, S.M.D, Zhang, J, Chen, L, Hara, M, Schiffer, C.A, Harris, R.S, Matsuo, H. | Deposit date: | 2015-02-28 | Release date: | 2015-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G. Nat.Struct.Mol.Biol., 22, 2015
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2N91
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![BU of 2n91 by Molmil](/molmil-images/mine/2n91) | A key amino acid in the control of different functional behavior within the triheme cytochrome family from Geobacter sulfurreducens | Descriptor: | Cytochrome C, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dantas, J.M, Simoes, T, Bruix, M, Salgueiro, C.A. | Deposit date: | 2015-11-02 | Release date: | 2016-09-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Unveiling the Structural Basis That Regulates the Energy Transduction Properties within a Family of Triheme Cytochromes from Geobacter sulfurreducens. J.Phys.Chem.B, 120, 2016
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2QU1
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![BU of 2qu1 by Molmil](/molmil-images/mine/2qu1) | Crystal Structure of a Cyclized GFP Variant | Descriptor: | CALCIUM ION, Green fluorescent protein | Authors: | Bailey, L.J, McCoy, J.G, Bitto, E, Bingman, C.A, Fox, B.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-08-03 | Release date: | 2007-09-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Cyclized GFP Variant. To be Published
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1GU8
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![BU of 1gu8 by Molmil](/molmil-images/mine/1gu8) | SENSORY RHODOPSIN II | Descriptor: | CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II | Authors: | Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M. | Deposit date: | 2002-01-24 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor Structure, 10, 2002
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2QPN
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![BU of 2qpn by Molmil](/molmil-images/mine/2qpn) | GES-1 beta-lactamase | Descriptor: | Beta-lactamase GES-1, SULFATE ION | Authors: | Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S. | Deposit date: | 2007-07-24 | Release date: | 2008-08-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases. Acta Crystallogr.,Sect.D, 63, 2007
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