1PZR
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![BU of 1pzr by Molmil](/molmil-images/mine/1pzr) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS2 and DEBS3: the B domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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4D4X
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![BU of 4d4x by Molmil](/molmil-images/mine/4d4x) | Nitrosyl complex of the D121I variant of cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | Authors: | Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W. | Deposit date: | 2014-10-31 | Release date: | 2015-09-09 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'. J.Biol.Inorg.Chem., 20, 2015
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1PZQ
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![BU of 1pzq by Molmil](/molmil-images/mine/1pzq) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS 2 and DEBS 3: The A domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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3ZDP
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![BU of 3zdp by Molmil](/molmil-images/mine/3zdp) | |
4CGX
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![BU of 4cgx by Molmil](/molmil-images/mine/4cgx) | Crystal structure of the N-terminal domain of the PA subunit of Thogoto virus polymerase (form 1) | Descriptor: | POLYMERASE ACIDIC PROTEIN | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2013-11-27 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains. Plos One, 9, 2014
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1PPO
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![BU of 1ppo by Molmil](/molmil-images/mine/1ppo) | DETERMINATION OF THE STRUCTURE OF PAPAYA PROTEASE OMEGA | Descriptor: | MERCURY (II) ION, PROTEASE OMEGA | Authors: | Pickersgill, R.W, Rizkallah, P.J, Harris, G.W, Goodenough, P.W. | Deposit date: | 1991-07-12 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Determination of the Structure of Papaya Protease Omega Acta Crystallogr.,Sect.B, 47, 1991
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4AWH
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![BU of 4awh by Molmil](/molmil-images/mine/4awh) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with rUMP | Descriptor: | MANGANESE (II) ION, POLYMERASE PA, URIDINE-5'-MONOPHOSPHATE | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AVL
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![BU of 4avl by Molmil](/molmil-images/mine/4avl) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with dTMP | Descriptor: | MANGANESE (II) ION, POLYMERASE PA, THYMIDINE-5'-PHOSPHATE | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H.J, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2012-05-28 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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1RZM
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![BU of 1rzm by Molmil](/molmil-images/mine/1rzm) | Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHPS) from Thermotoga maritima complexed with Cd2+, PEP and E4P | Descriptor: | CADMIUM ION, ERYTHOSE-4-PHOSPHATE, PHOSPHOENOLPYRUVATE, ... | Authors: | Shumilin, I.A, Bauerle, R, Wu, J, Woodard, R.W, Kretsinger, R.H. | Deposit date: | 2003-12-24 | Release date: | 2004-08-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Reaction Complex of 3-Deoxy-d-arabino-heptulosonate-7-phosphate Synthase from Thermotoga maritima Refines the Catalytic Mechanism and Indicates a New Mechanism of Allosteric Regulation. J.Mol.Biol., 341, 2004
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4CGS
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![BU of 4cgs by Molmil](/molmil-images/mine/4cgs) | Crystal structure of the N-terminal domain of the PA subunit of Dhori virus polymerase | Descriptor: | GLYCEROL, POLYMERASE SUBUNIT PA | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2013-11-26 | Release date: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains. Plos One, 9, 2014
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4CHF
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![BU of 4chf by Molmil](/molmil-images/mine/4chf) | Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase (form 2) | Descriptor: | POLYMERASE BASIC PROTEIN 2 | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2013-12-01 | Release date: | 2014-02-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains. Plos One, 9, 2014
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1SDV
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![BU of 1sdv by Molmil](/molmil-images/mine/1sdv) | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2004-02-14 | Release date: | 2004-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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3ZDO
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![BU of 3zdo by Molmil](/molmil-images/mine/3zdo) | Tetramerization domain of Measles virus phosphoprotein | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, PHOSPHOPROTEIN | Authors: | Communie, G, Crepin, T, Jensen, M.R, Blackledge, M, Ruigrok, R.W.H. | Deposit date: | 2012-11-29 | Release date: | 2013-04-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of the Tetramerization Domain of Measles Virus Phosphoprotein. J.Virol., 87, 2013
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4D6T
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![BU of 4d6t by Molmil](/molmil-images/mine/4d6t) | Cytochrome bc1 bound to the 4(1H)-pyridone GW844520 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | Authors: | Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V. | Deposit date: | 2014-11-14 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1. Proc.Natl.Acad.Sci.USA, 112, 2015
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4CBT
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![BU of 4cbt by Molmil](/molmil-images/mine/4cbt) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-16 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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4CBY
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![BU of 4cby by Molmil](/molmil-images/mine/4cby) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-17 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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4D6U
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![BU of 4d6u by Molmil](/molmil-images/mine/4d6u) | Cytochrome bc1 bound to the 4(1H)-pyridone GSK932121 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | Authors: | Capper, M.J, ONeill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V. | Deposit date: | 2014-11-14 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.09 Å) | Cite: | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1. Proc.Natl.Acad.Sci.USA, 112, 2015
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1QIB
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![BU of 1qib by Molmil](/molmil-images/mine/1qib) | CRYSTAL STRUCTURE OF GELATINASE A CATALYTIC DOMAIN | Descriptor: | 72 kDa type IV collagenase, CALCIUM ION, ZINC ION | Authors: | Dhanaraj, V, Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A, Rubin, J.R, Skeean, R.W, White, A.D, Humblet, C, Hupe, D.J, Blundell, T.L. | Deposit date: | 1999-06-11 | Release date: | 1999-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray structure of gelatinase A catalytic domain complexed with a hydroxamate inhibitor Croatica Chemica Acta, 72, 1999
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4CHE
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![BU of 4che by Molmil](/molmil-images/mine/4che) | Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase | Descriptor: | POLYMERASE BASIC PROTEIN 2 | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2013-12-01 | Release date: | 2014-02-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains. Plos One, 9, 2014
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1Q7D
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1SDT
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![BU of 1sdt by Molmil](/molmil-images/mine/1sdt) | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2004-02-14 | Release date: | 2004-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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1SDU
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![BU of 1sdu by Molmil](/molmil-images/mine/1sdu) | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | Descriptor: | ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, SULFATE ION, ... | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2004-02-14 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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1PSI
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![BU of 1psi by Molmil](/molmil-images/mine/1psi) | |
1PIC
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![BU of 1pic by Molmil](/molmil-images/mine/1pic) | PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE | Descriptor: | BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE | Authors: | Breeze, A.L, Kara, B.V, Barratt, D.G, Anderson, M, Smith, J.C, Luke, R.W, Best, J.R, Cartlidge, S.A. | Deposit date: | 1997-06-23 | Release date: | 1997-09-17 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of a specific peptide complex of the carboxy-terminal SH2 domain from the p85 alpha subunit of phosphatidylinositol 3-kinase. EMBO J., 15, 1996
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1SP2
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![BU of 1sp2 by Molmil](/molmil-images/mine/1sp2) | |