7ROX
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![BU of 7rox by Molmil](/molmil-images/mine/7rox) | BthTX-I complexed with inhibitor MMV | Descriptor: | 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I | Authors: | Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M. | Deposit date: | 2021-08-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis. Biochimie, 206, 2023
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6OS0
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![BU of 6os0 by Molmil](/molmil-images/mine/6os0) | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to angiotensin II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, CHLORIDE ION, ... | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2019-05-01 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science, 367, 2020
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2JPW
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![BU of 2jpw by Molmil](/molmil-images/mine/2jpw) | Solution structure of the bisphosphorylated cardiac specific N-extension of cardiac troponin I | Descriptor: | Troponin I, cardiac muscle | Authors: | Howarth, J.W, Rosevear, P.R, Meller, J, Solaro, R.J, Trewhella, J. | Deposit date: | 2007-05-24 | Release date: | 2007-12-11 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Phosphorylation-dependent conformational transition of the cardiac specific N-extension of troponin I in cardiac troponin J.Mol.Biol., 373, 2007
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6OVA
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![BU of 6ova by Molmil](/molmil-images/mine/6ova) | Crystal Structure of TYK2 with novel pyrrolidinone inhibitor | Descriptor: | 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Skene, R.J, Hoffman, I.D. | Deposit date: | 2019-05-07 | Release date: | 2020-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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2J11
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![BU of 2j11 by Molmil](/molmil-images/mine/2j11) | p53 tetramerization domain mutant Y327S T329G Q331G | Descriptor: | CELLULAR TUMOR ANTIGEN P53 | Authors: | Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A. | Deposit date: | 2006-08-08 | Release date: | 2007-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach. Proteins, 71, 2008
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2IHL
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![BU of 2ihl by Molmil](/molmil-images/mine/2ihl) | LYSOZYME (E.C.3.2.1.17) (JAPANESE QUAIL) | Descriptor: | JAPANESE QUAIL EGG WHITE LYSOZYME, SODIUM ION | Authors: | Houdusse, A, Bentley, G.A, Poljak, R.J, Souchon, H, Zhang, Z. | Deposit date: | 1993-06-29 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex. Proc.Natl.Acad.Sci.Usa, 90, 1993
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1NTL
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![BU of 1ntl by Molmil](/molmil-images/mine/1ntl) | Model of mouse Crry-Ig determined by solution scattering, curve fitting and homology modelling | Descriptor: | Complement component receptor 1-like protein,Ig gamma-1 chain C region secreted form | Authors: | Aslam, M, Guthridge, J.M, Hack, B.K, Quigg, R.J, Holers, V.M, Perkins, S.J. | Deposit date: | 2003-01-30 | Release date: | 2004-02-03 | Last modified: | 2024-02-14 | Method: | SOLUTION SCATTERING (30 Å) | Cite: | The extended multidomain solution structures of the complement protein Crry
and its chimaeric conjugate Crry-Ig by scattering, analytical ultracentrifugation
and constrained modelling: implications for function and therapy J.Mol.Biol., 329, 2003
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4CGP
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![BU of 4cgp by Molmil](/molmil-images/mine/4cgp) | Leishmania major N-myristoyltransferase in complex with cofactor | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA | Authors: | Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J. | Deposit date: | 2013-11-25 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors Iucrj, 1, 2014
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2JH5
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![BU of 2jh5 by Molmil](/molmil-images/mine/2jh5) | Human Thrombin Hirugen Inhibitor complex | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | Authors: | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | Deposit date: | 2007-02-20 | Release date: | 2007-05-08 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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1QOV
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![BU of 1qov by Molmil](/molmil-images/mine/1qov) | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M260 REPLACED WITH TRP (CHAIN M, A260W) | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | McAuley, K.E, Fyfe, P.K, Ridge, J.P, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | Deposit date: | 1999-11-17 | Release date: | 1999-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Details of an Interaction between Cardiolipin and an Integral Membrane Protein Proc.Natl.Acad.Sci.USA, 96, 1999
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2JH0
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![BU of 2jh0 by Molmil](/molmil-images/mine/2jh0) | Human Thrombin Hirugen Inhibitor complex | Descriptor: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | Authors: | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | Deposit date: | 2007-02-19 | Release date: | 2007-05-08 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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4D4B
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![BU of 4d4b by Molmil](/molmil-images/mine/4d4b) | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | Deposit date: | 2014-10-27 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
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1ONU
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![BU of 1onu by Molmil](/molmil-images/mine/1onu) | NMDA RECEPTOR ANTAGONIST, CONANTOKIN-G, NMR, 17 STRUCTURES | Descriptor: | CONANTOKIN-G | Authors: | Skjaerbaek, N, Nielsen, K.J, Lewis, R.J, Alewood, P.F, Craik, D.J. | Deposit date: | 1996-08-27 | Release date: | 1997-09-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Determination of the solution structures of conantokin-G and conantokin-T by CD and NMR spectroscopy. J.Biol.Chem., 272, 1997
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6OP1
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![BU of 6op1 by Molmil](/molmil-images/mine/6op1) | |
6OS1
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![BU of 6os1 by Molmil](/molmil-images/mine/6os1) | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Nanobody Nb.AT110i1_le, ... | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2019-05-01 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science, 367, 2020
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4CYN
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![BU of 4cyn by Molmil](/molmil-images/mine/4cyn) | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) | Descriptor: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2014-04-14 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem., 57, 2014
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4B11
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![BU of 4b11 by Molmil](/molmil-images/mine/4b11) | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13) | Descriptor: | 2-oxopentadecyl-CoA, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, CHLORIDE ION, ... | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2012-07-06 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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4UFH
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![BU of 4ufh by Molmil](/molmil-images/mine/4ufh) | Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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6OTA
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![BU of 6ota by Molmil](/molmil-images/mine/6ota) | |
4UFK
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![BU of 4ufk by Molmil](/molmil-images/mine/4ufk) | Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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7S6G
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![BU of 7s6g by Molmil](/molmil-images/mine/7s6g) | Crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | Deposit date: | 2021-09-14 | Release date: | 2021-10-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Marine picocyanobacterial PhnD1 shows specificity for various phosphorus sources but likely represents a constitutive inorganic phosphate transporter. Isme J, 17, 2023
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1OMW
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![BU of 1omw by Molmil](/molmil-images/mine/1omw) | Crystal Structure of the complex between G Protein-Coupled Receptor Kinase 2 and Heterotrimeric G Protein beta 1 and gamma 2 subunits | Descriptor: | G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1 | Authors: | Lodowski, D.T, Pitcher, J.A, Capel, W.D, Lefkowitz, R.J, Tesmer, J.J.G. | Deposit date: | 2003-02-26 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Keeping G proteins at Bay: A Complex Between G Protein-Coupled Receptor Kinase 2 and G-Beta-Gamma Science, 300, 2003
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4AXJ
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![BU of 4axj by Molmil](/molmil-images/mine/4axj) | Structure of the Clostridium difficile EutM protein | Descriptor: | ETHANOLAMINE CARBOXYSOME STRUCTURAL PROTEIN, SULFATE ION | Authors: | Pitts, A.C, Tuck, L.R, Faulds-Pain, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2012-06-13 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Insight Into the Clostridium Difficile Ethanolamine Utilisation Microcompartment. Plos One, 7, 2012
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1OPP
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![BU of 1opp by Molmil](/molmil-images/mine/1opp) | PEPTIDE OF HUMAN APOLIPOPROTEIN C-I RESIDUES 1-38, NMR, 28 STRUCTURES | Descriptor: | APOLIPOPROTEIN C-I | Authors: | Rozek, A, Buchko, G.W, Kanda, P, Cushley, R.J. | Deposit date: | 1997-05-08 | Release date: | 1998-05-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Conformational studies of the N-terminal lipid-associating domain of human apolipoprotein C-I by CD and 1H NMR spectroscopy. Protein Sci., 6, 1997
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6OS2
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![BU of 6os2 by Molmil](/molmil-images/mine/6os2) | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2019-05-01 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science, 367, 2020
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