2VOM
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![BU of 2vom by Molmil](/molmil-images/mine/2vom) | Structural basis of human triosephosphate isomerase deficiency. Mutation E104D and correlation to solvent perturbation. | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Rodriguez-Almazan, C, Arreola-Alemon, R, Rodriguez-Larrea, D, Aguirre-Lopez, B, de Gomez-Puyou, M.T, Perez-Montfort, R, Costas, M, Gomez-Puyou, A, Torres-Larios, A. | Deposit date: | 2008-02-19 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Human Triosephosphate Isomerase Deficiency: Mutation E104D is Related to Alterations of a Conserved Water Network at the Dimer Interface. J.Biol.Chem., 283, 2008
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2XQB
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![BU of 2xqb by Molmil](/molmil-images/mine/2xqb) | Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15 | Descriptor: | ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION | Authors: | Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R. | Deposit date: | 2010-09-01 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope. J.Mol.Biol., 406, 2011
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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2YIG
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6EW6
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![BU of 6ew6 by Molmil](/molmil-images/mine/6ew6) | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-11-03 | Release date: | 2018-10-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem. Biol., 13, 2018
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6EW8
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2V4B
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![BU of 2v4b by Molmil](/molmil-images/mine/2v4b) | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form) | Descriptor: | ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | Deposit date: | 2007-06-28 | Release date: | 2008-01-15 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains. J.Mol.Biol., 373, 2007
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2JK2
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![BU of 2jk2 by Molmil](/molmil-images/mine/2jk2) | STRUCTURAL BASIS OF HUMAN TRIOSEPHOSPHATE ISOMERASE DEFICIENCY. CRYSTAL STRUCTURE OF THE WILD TYPE ENZYME. | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Rodriguez-Almazan, C, Arreola-Alemon, R, Rodriguez-Larrea, D, Aguirre-Lopez, B, De Gomez-Puyou, M.T, Perez-Montfort, R, Costas, M, Gomez-Puyou, A, Torres-Larios, A. | Deposit date: | 2008-06-22 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Human Triosephosphate Isomerase Deficiency: Mutation E104D is Related to Alterations of a Conserved Water Network at the Dimer Interface. J.Biol.Chem., 283, 2008
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6EW7
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2VXS
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![BU of 2vxs by Molmil](/molmil-images/mine/2vxs) | Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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6FS1
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![BU of 6fs1 by Molmil](/molmil-images/mine/6fs1) | MCL1 in complex with an indole acid ligand | Descriptor: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Kasmirski, S, Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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4IXC
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4IWV
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![BU of 4iwv by Molmil](/molmil-images/mine/4iwv) | Crystals structure of Human Glucokinase in complex with small molecule activator | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | Deposit date: | 2013-01-24 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published
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2D1L
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![BU of 2d1l by Molmil](/molmil-images/mine/2d1l) | Structure of F-actin binding domain IMD of MIM (Missing In Metastasis) | Descriptor: | Metastasis suppressor protein 1 | Authors: | Lee, S.H, Kerff, F, Chereau, D, Ferron, F, Dominguez, R. | Deposit date: | 2005-08-27 | Release date: | 2006-09-12 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the actin-binding function of missing-in-metastasis Structure, 15, 2007
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2JIH
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![BU of 2jih by Molmil](/molmil-images/mine/2jih) | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ... | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | Deposit date: | 2007-06-28 | Release date: | 2008-01-15 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains. J. Mol. Biol., 373, 2007
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5OLJ
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![BU of 5olj by Molmil](/molmil-images/mine/5olj) | Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 | Descriptor: | Dipeptidyl peptidase IV, GLYCEROL | Authors: | Fulop, V. | Deposit date: | 2017-07-27 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 and structure-activity relationships based on inhibitor profiling. Eur J Med Chem, 139, 2017
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4N8M
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![BU of 4n8m by Molmil](/molmil-images/mine/4n8m) | Structural polymorphism in the N-terminal oligomerization domain of NPM1 | Descriptor: | COBALT (II) ION, Nucleophosmin | Authors: | Mitrea, D, Royappa, G, Buljan, M, Yun, M, Pytel, N, Satumba, J, Nourse, A, Park, C, Babu, M.M, White, S.W, Kriwacki, R.W. | Deposit date: | 2013-10-17 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural polymorphism in the N-terminal oligomerization domain of NPM1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4A7B
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6SRN
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4UU9
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![BU of 4uu9 by Molmil](/molmil-images/mine/4uu9) | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | Descriptor: | COMPLEMENT C5, MEDI7814, SULFATE ION | Authors: | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | Deposit date: | 2014-07-25 | Release date: | 2015-08-12 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors. MAbs, 10, 2018
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6F0C
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6F0B
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6CGO
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![BU of 6cgo by Molmil](/molmil-images/mine/6cgo) | Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase | Descriptor: | Condensation domain protein, PHOSPHATE ION | Authors: | Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E. | Deposit date: | 2018-02-20 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for chain release from the enacyloxin polyketide synthase. Nat.Chem., 11, 2019
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1H2W
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![BU of 1h2w by Molmil](/molmil-images/mine/1h2w) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN | Descriptor: | GLYCEROL, PROLYL ENDOPEPTIDASE | Authors: | Fulop, V. | Deposit date: | 2002-08-20 | Release date: | 2002-11-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site J.Biol.Chem., 277, 2002
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1H2X
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![BU of 1h2x by Molmil](/molmil-images/mine/1h2x) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y473F MUTANT | Descriptor: | GLYCEROL, PROLYL ENDOPEPTIDASE | Authors: | Fulop, V. | Deposit date: | 2002-08-20 | Release date: | 2002-11-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site J.Biol.Chem., 277, 2002
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