2AZD
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3V3D
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1HTZ
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![BU of 1htz by Molmil](/molmil-images/mine/1htz) | CRYSTAL STRUCTURE OF TEM52 BETA-LACTAMASE | Descriptor: | BETA-LACTAMASE MUTANT TEM52 | Authors: | Stevens, R.C, Orencia, M.C. | Deposit date: | 2001-01-03 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predicting the emergence of antibiotic resistance by directed evolution and structural analysis. Nat.Struct.Biol., 8, 2001
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2JV6
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![BU of 2jv6 by Molmil](/molmil-images/mine/2jv6) | YF ED3 Protein NMR Structure | Descriptor: | Envelope protein E | Authors: | Volk, D.E, Gandham, S.H.A, May, F.J, Anderson, A, Barrett, A.D.T, Gorenstein, D.G. | Deposit date: | 2007-09-12 | Release date: | 2008-09-16 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Yellow Fever Virus Envelope Protein Domain III: A Convergence of Structure and Phylogenetics To be Published
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2J7L
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![BU of 2j7l by Molmil](/molmil-images/mine/2j7l) | E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c | Descriptor: | (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD | Authors: | Remaut, H, Pinkner, J.S, Hultgren, S.J, Almqvist, F, Waksman, G. | Deposit date: | 2006-10-12 | Release date: | 2006-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationally Designed Small Compounds Inhibit Pilus Biogenesis in Uropathogenic Bacteria. Proc.Natl.Acad.Sci.USA, 103, 2006
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1IHN
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6EL7
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![BU of 6el7 by Molmil](/molmil-images/mine/6el7) | Glucocorticoid Receptor in complex with compound 31 | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | Authors: | Edman, K, Wissler, L. | Deposit date: | 2017-09-28 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J. Med. Chem., 61, 2018
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2JDQ
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![BU of 2jdq by Molmil](/molmil-images/mine/2jdq) | C-terminal domain of influenza A virus polymerase PB2 subunit in complex with human importin alpha5 | Descriptor: | IMPORTIN ALPHA-1 SUBUNIT, POLYMERASE BASIC PROTEIN 2 | Authors: | Tarendeau, F, Guilligay, D, Mas, P, Boulo, S, Baudin, F, Ruigrok, R.W.H, Hart, D.J, Cusack, S. | Deposit date: | 2007-01-11 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Nuclear Import Function of the C- Terminal Domain of Influenza Virus Polymerase Pb2 Subunit Nat.Struct.Mol.Biol., 14, 2007
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2IGO
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6ESN
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![BU of 6esn by Molmil](/molmil-images/mine/6esn) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-10-23 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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8RVE
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![BU of 8rve by Molmil](/molmil-images/mine/8rve) | Vimentin intermediate filament | Descriptor: | Vimentin | Authors: | Eibauer, M, Medalia, O. | Deposit date: | 2024-02-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Vimentin filaments integrate low-complexity domains in a complex helical structure. Nat.Struct.Mol.Biol., 31, 2024
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2JB5
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![BU of 2jb5 by Molmil](/molmil-images/mine/2jb5) | Fab fragment in complex with small molecule hapten, crystal form-1 | Descriptor: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | Authors: | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | Deposit date: | 2006-12-03 | Release date: | 2008-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface J.Mol.Biol., 377, 2008
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2JB6
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![BU of 2jb6 by Molmil](/molmil-images/mine/2jb6) | Fab fragment in complex with small molecule hapten, crystal form-2 | Descriptor: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | Authors: | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | Deposit date: | 2006-12-03 | Release date: | 2008-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface J.Mol.Biol., 377, 2008
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6V3P
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2IGN
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![BU of 2ign by Molmil](/molmil-images/mine/2ign) | Crystal structure of recombinant pyranose 2-oxidase H167A mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase | Authors: | Divne, C. | Deposit date: | 2006-09-22 | Release date: | 2006-10-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for substrate binding and regioselective oxidation of monosaccharides at c3 by pyranose 2-oxidase. J.Biol.Chem., 281, 2006
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2IL9
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1K4Z
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![BU of 1k4z by Molmil](/molmil-images/mine/1k4z) | C-terminal Domain of Cyclase Associated Protein | Descriptor: | Adenylyl Cyclase-Associated Protein | Authors: | Rozwarski, D.A, Fedorov, A.A, Dodatko, T, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-10-09 | Release date: | 2002-03-13 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein Biochemistry, 43, 2004
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1K8F
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![BU of 1k8f by Molmil](/molmil-images/mine/1k8f) | CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN | Descriptor: | ADENYLYL CYCLASE-ASSOCIATED PROTEIN | Authors: | Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-10-24 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein. Biochemistry, 43, 2004
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2I1K
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1KIU
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1KJ3
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![BU of 1kj3 by Molmil](/molmil-images/mine/1kj3) | Mhc Class I H-2Kb molecule complexed with pKB1 peptide | Descriptor: | BETA-2 MICROGLOBULIN, H-2KB MHC CLASS I MOLECULE ALPHA CHAIN, NATURALLY PROCESSED OCTAPEPTIDE PKB1 | Authors: | Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. | Deposit date: | 2001-12-04 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex. Immunity, 16, 2002
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7U8H
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![BU of 7u8h by Molmil](/molmil-images/mine/7u8h) | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2022-03-08 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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1JDB
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![BU of 1jdb by Molmil](/molmil-images/mine/1jdb) | CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE, CHLORIDE ION, ... | Authors: | Thoden, J.B, Holden, H.M, Wesenberg, G, Raushel, F.M, Rayment, I. | Deposit date: | 1997-03-25 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of carbamoyl phosphate synthetase determined to 2.1 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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1JIL
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![BU of 1jil by Molmil](/molmil-images/mine/1jil) | Crystal structure of S. aureus TyrRS in complex with SB284485 | Descriptor: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase | Authors: | Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L. | Deposit date: | 2001-07-02 | Release date: | 2001-10-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. Protein Sci., 10, 2001
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1I5Y
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![BU of 1i5y by Molmil](/molmil-images/mine/1i5y) | HIV-1 GP41 CORE | Descriptor: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | Authors: | Liu, J, Lu, M. | Deposit date: | 2001-03-01 | Release date: | 2002-09-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis. J.Virol., 75, 2001
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