1SRB
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![BU of 1srb by Molmil](/molmil-images/mine/1srb) | CONFORMATIONAL STUDIES ON SRTB, A NON-SELECTIVE ENDOTHELIN RECEPTOR AGONIST, AND ON IRL 1620, AN ETB RECEPTOR SPECIFIC AGONIST | Descriptor: | Sarafotoxins precursor | Authors: | Smith, R, Atkins, A.R. | Deposit date: | 1994-09-06 | Release date: | 1994-11-01 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | 1H NMR studies of sarafotoxin SRTb, a nonselective endothelin receptor agonist, and IRL 1620, an ETB receptor-specific agonist. Biochemistry, 34, 1995
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1LDR
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![BU of 1ldr by Molmil](/molmil-images/mine/1ldr) | |
1LDL
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![BU of 1ldl by Molmil](/molmil-images/mine/1ldl) | |
1F5Y
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![BU of 1f5y by Molmil](/molmil-images/mine/1f5y) | NMR STRUCTURE OF A CONCATEMER OF THE FIRST AND SECOND LIGAND-BINDING MODULES OF THE HUMAN LDL RECEPTOR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Atkins, A.R, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2000-06-18 | Release date: | 2000-08-30 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor. Protein Sci., 9, 2000
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1HZ8
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![BU of 1hz8 by Molmil](/molmil-images/mine/1hz8) | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN RECEPTOR | Descriptor: | CALCIUM ION, LOW DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Aliabadizadeh, K, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2001-01-23 | Release date: | 2001-08-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure and backbone dynamics of a concatemer of epidermal growth factor homology modules of the human low-density lipoprotein receptor. J.Mol.Biol., 311, 2001
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1I0U
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![BU of 1i0u by Molmil](/molmil-images/mine/1i0u) | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN RECEPTOR | Descriptor: | CALCIUM ION, LOW DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Aliabadizadeh, K, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2001-01-29 | Release date: | 2001-08-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure and backbone dynamics of a concatemer of epidermal growth factor homology modules of the human low-density lipoprotein receptor. J.Mol.Biol., 311, 2001
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1B8W
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![BU of 1b8w by Molmil](/molmil-images/mine/1b8w) | DEFENSIN-LIKE PEPTIDE 1 | Descriptor: | PROTEIN (DEFENSIN-LIKE PEPTIDE 1) | Authors: | Torres, A.M, Wang, X, Fletcher, J.I, Alewood, D, Alewood, P.F, Smith, R, Simpson, R.J, Nicholson, G.M, Sutherland, S.K, Gallagher, C.H, King, G.F, Kuchel, P.W. | Deposit date: | 1999-02-02 | Release date: | 1999-09-15 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a defensin-like peptide from platypus venom. Biochem.J., 341, 1999
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1F8Z
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![BU of 1f8z by Molmil](/molmil-images/mine/1f8z) | NMR STRUCTURE OF THE SIXTH LIGAND-BINDING MODULE OF THE LDL RECEPTOR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | Authors: | Clayton, D.J, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2000-07-05 | Release date: | 2000-10-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Three-dimensional NMR structure of the sixth ligand-binding module of the human LDL receptor: comparison of two adjacent modules with different ligand binding specificities. FEBS Lett., 479, 2000
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1FMV
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![BU of 1fmv by Molmil](/molmil-images/mine/1fmv) | CRYSTAL STRUCTURE OF THE APO MOTOR DOMAIN OF DICTYOSTELLIUM MYOSIN II | Descriptor: | CHLORIDE ION, MYOSIN II HEAVY CHAIN | Authors: | Bauer, C.B, Holden, H.M, Thoden, J.B, Smith, R, Rayment, I. | Deposit date: | 2000-08-18 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structures of the apo and MgATP-bound states of Dictyostelium discoideum myosin motor domain. J.Biol.Chem., 275, 2000
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1FMW
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![BU of 1fmw by Molmil](/molmil-images/mine/1fmw) | CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MYOSIN II HEAVY CHAIN | Authors: | Bauer, C.B, Holden, H.M, Thoden, J.B, Smith, R, Rayment, I. | Deposit date: | 2000-08-18 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray structures of the apo and MgATP-bound states of Dictyostelium discoideum myosin motor domain. J.Biol.Chem., 275, 2000
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1YV3
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![BU of 1yv3 by Molmil](/molmil-images/mine/1yv3) | The structural basis of blebbistatin inhibition and specificity for myosin II | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Allingham, J.S, Smith, R, Rayment, I. | Deposit date: | 2005-02-14 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of blebbistatin inhibition and specificity for myosin II. Nat.Struct.Mol.Biol., 12, 2005
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1YGC
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![BU of 1ygc by Molmil](/molmil-images/mine/1ygc) | Short Factor VIIa with a small molecule inhibitor | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | Deposit date: | 2005-01-04 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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1VOM
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8TXY
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![BU of 8txy by Molmil](/molmil-images/mine/8txy) | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | Deposit date: | 2023-08-24 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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5E95
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![BU of 5e95 by Molmil](/molmil-images/mine/5e95) | Crystal Structure of Mb(NS1)/H-Ras Complex | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S. | Deposit date: | 2015-10-14 | Release date: | 2016-11-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Inhibition of RAS function through targeting an allosteric regulatory site. Nat. Chem. Biol., 13, 2017
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5JO3
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![BU of 5jo3 by Molmil](/molmil-images/mine/5jo3) | PDE5A for NaV1.7 | Descriptor: | 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Storer, I, Chrencik, J. | Deposit date: | 2016-05-01 | Release date: | 2017-05-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PDE5A for NaV1.7 To be published
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6ZYO
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![BU of 6zyo by Molmil](/molmil-images/mine/6zyo) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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6ZYR
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![BU of 6zyr by Molmil](/molmil-images/mine/6zyr) | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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1MND
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1MMD
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![BU of 1mmd by Molmil](/molmil-images/mine/1mmd) | TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-BEF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Fisher, A.J, Holden, H.M, Rayment, I. | Deposit date: | 1995-03-21 | Release date: | 1996-08-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-. Biochemistry, 34, 1995
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8ADK
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![BU of 8adk by Molmil](/molmil-images/mine/8adk) | |
8ADJ
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![BU of 8adj by Molmil](/molmil-images/mine/8adj) | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | Descriptor: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ariza, A, Fontana, P. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.508 Å) | Cite: | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling. Nat Commun, 14, 2023
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1MNE
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![BU of 1mne by Molmil](/molmil-images/mine/1mne) | |
6FY5
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![BU of 6fy5 by Molmil](/molmil-images/mine/6fy5) | Crystal structure of the macro domain of human macroh2a2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2 | Authors: | Hothorn, M. | Deposit date: | 2018-03-10 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms. EMBO Rep., 19, 2018
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6ZYQ
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![BU of 6zyq by Molmil](/molmil-images/mine/6zyq) | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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