2X4Q
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![BU of 2x4q by Molmil](/molmil-images/mine/2x4q) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X70
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![BU of 2x70 by Molmil](/molmil-images/mine/2x70) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-22 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
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2X4P
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![BU of 2x4p by Molmil](/molmil-images/mine/2x4p) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2PLL
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![BU of 2pll by Molmil](/molmil-images/mine/2pll) | Crystal structure of perdeuterated human arginase I | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | Deposit date: | 2007-04-19 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I Arch.Biochem.Biophys., 465, 2007
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5WG1
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![BU of 5wg1 by Molmil](/molmil-images/mine/5wg1) | Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-13 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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6I6R
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![BU of 6i6r by Molmil](/molmil-images/mine/6i6r) | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | Descriptor: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | Deposit date: | 2018-11-15 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes. Chemistry, 24, 2018
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4DE2
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![BU of 4de2 by Molmil](/molmil-images/mine/4de2) | CTX-M-9 class A beta-lactamase complexed with compound 12 | Descriptor: | 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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5ZLQ
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![BU of 5zlq by Molmil](/molmil-images/mine/5zlq) | Crystal Structure of C1orf123 | Descriptor: | UPF0587 protein C1orf123, ZINC ION | Authors: | Furukawa, Y, Lim, C.T, Tosha, T. | Deposit date: | 2018-03-29 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a novel zinc-binding protein, C1orf123, as an interactor with a heavy metal-associated domain PLoS ONE, 13, 2018
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2WHE
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![BU of 2whe by Molmil](/molmil-images/mine/2whe) | Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands. | Descriptor: | BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-05-04 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes. Proc.Natl.Acad.Sci.USA, 107, 2010
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2H0M
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2GV9
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2Z30
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![BU of 2z30 by Molmil](/molmil-images/mine/2z30) | Crystal structure of complex form between mat-Tk-subtilisin and Tk-propeptide | Descriptor: | CALCIUM ION, Tk-subtilisin, ZINC ION | Authors: | Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2007-05-29 | Release date: | 2007-12-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Four new crystal structures of Tk-subtilisin in unautoprocessed, autoprocessed and mature forms: insight into structural changes during maturation J.Mol.Biol., 372, 2007
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2POI
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![BU of 2poi by Molmil](/molmil-images/mine/2poi) | Crystal structure of XIAP BIR1 domain (I222 form) | Descriptor: | Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Lin, S. | Deposit date: | 2007-04-26 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization. Mol.Cell, 26, 2007
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2PTZ
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![BU of 2ptz by Molmil](/molmil-images/mine/2ptz) | Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-out conformation | Descriptor: | 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ... | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics. Febs J., 274, 2007
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4DB9
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![BU of 4db9 by Molmil](/molmil-images/mine/4db9) | Designed Armadillo repeat protein (YIIIM3AIII) | Descriptor: | Armadillo repeat protein, YIIIM3AIII | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | Deposit date: | 2012-01-13 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based optimization of designed Armadillo-repeat proteins. Protein Sci., 21, 2012
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2Q1L
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![BU of 2q1l by Molmil](/molmil-images/mine/2q1l) | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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3BDY
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![BU of 3bdy by Molmil](/molmil-images/mine/3bdy) | Dual specific bH1 Fab in complex with VEGF | Descriptor: | Fab Fragment -Heavy Chain, Fab Fragment -Light Chain, GLYCEROL, ... | Authors: | Bostrom, J.M, Wiesmann, C, Appleton, B.A. | Deposit date: | 2007-11-15 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site Science, 323, 2009
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2PUO
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2PVD
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![BU of 2pvd by Molmil](/molmil-images/mine/2pvd) | Crystal srtucture of the reduced ferredoxin:thioredoxin reductase | Descriptor: | Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ... | Authors: | Dai, S. | Deposit date: | 2007-05-09 | Release date: | 2007-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase. Nature, 448, 2007
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2GQ4
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![BU of 2gq4 by Molmil](/molmil-images/mine/2gq4) | Crystal structure of an RNA racemate | Descriptor: | CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ... | Authors: | Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A. | Deposit date: | 2006-04-20 | Release date: | 2006-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The first crystal structure of an RNA racemate. Acta Crystallogr.,Sect.D, 62, 2006
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5AKF
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![BU of 5akf by Molmil](/molmil-images/mine/5akf) | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN | Descriptor: | 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3', ... | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | Deposit date: | 2015-03-03 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold. J.Biol.Chem., 290, 2015
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2H7C
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![BU of 2h7c by Molmil](/molmil-images/mine/2h7c) | Crystal structure of human carboxylesterase in complex with Coenzyme A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COENZYME A, ... | Authors: | Bencharit, S, Edwards, C.C, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2006-06-02 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1 J.Mol.Biol., 363, 2006
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4ZX3
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![BU of 4zx3 by Molmil](/molmil-images/mine/4zx3) | |
4ZYJ
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![BU of 4zyj by Molmil](/molmil-images/mine/4zyj) | |
2NZ1
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![BU of 2nz1 by Molmil](/molmil-images/mine/2nz1) | |