1PL2
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![BU of 1pl2 by Molmil](/molmil-images/mine/1pl2) | Crystal structure of human glutathione transferase (GST) A1-1 T68E mutant in complex with decarboxy-glutathione | Descriptor: | CHLORIDE ION, Glutathione S-transferase A1, N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE | Authors: | Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B. | Deposit date: | 2003-06-06 | Release date: | 2004-06-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix. Acta Crystallogr.,Sect.D, 62, 2006
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2W3N
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![BU of 2w3n by Molmil](/molmil-images/mine/2w3n) | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans | Descriptor: | ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C. | Deposit date: | 2008-11-13 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans. J. Mol. Biol., 385, 2009
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2W5S
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![BU of 2w5s by Molmil](/molmil-images/mine/2w5s) | Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. | Descriptor: | (2R)-2,3-dihydroxypropyl phosphate, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Lu, D, Wormann, M.E, Zhang, X, Schneewind, O, Grundling, A, Freemont, P.S. | Deposit date: | 2008-12-11 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas. Proc.Natl.Acad.Sci.USA, 106, 2009
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1PQE
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![BU of 1pqe by Molmil](/molmil-images/mine/1pqe) | S25A mutant of pyruvoyl dependent aspartate decarboxylase | Descriptor: | Aspartate 1-decarboxylase | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2003-06-18 | Release date: | 2003-11-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J., 22, 2003
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1NR8
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![BU of 1nr8 by Molmil](/molmil-images/mine/1nr8) | The crystal structure of a D-Lysine-based chiral PNA-DNA duplex | Descriptor: | 5'-D(P*AP*GP*TP*GP*AP*TP*CP*TP*AP*C)-3', H-((GPN)*(TPN)*(APN)*(GPN)*(A66)*(T66)*(C66)*(APN)*(CPN)*(TPN))-NH2, MAGNESIUM ION | Authors: | Menchise, V, De Simone, G, Tedeschi, T, Corradini, R, Sforza, S, Marchelli, R, Capasso, D, Saviano, M, Pedone, C. | Deposit date: | 2003-01-24 | Release date: | 2003-10-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Insights into peptide nucleic acid (PNA) structural features: The
crystal structure of a D-lysine-based chiral PNA-DNA duplex Proc.Natl.Acad.Sci.USA, 100, 2003
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2WD7
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![BU of 2wd7 by Molmil](/molmil-images/mine/2wd7) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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8RS5
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![BU of 8rs5 by Molmil](/molmil-images/mine/8rs5) | |
1NW1
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![BU of 1nw1 by Molmil](/molmil-images/mine/1nw1) | Crystal Structure of Choline Kinase | Descriptor: | CALCIUM ION, Choline kinase (49.2 kD) | Authors: | Peisach, D, Gee, P, Kent, C, Xu, Z. | Deposit date: | 2003-02-05 | Release date: | 2003-06-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold Structure, 11, 2003
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3P87
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![BU of 3p87 by Molmil](/molmil-images/mine/3p87) | Structure of human PCNA bound to RNASEH2B PIP box peptide | Descriptor: | Proliferating cell nuclear antigen, Ribonuclease H2 subunit B | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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2W1K
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![BU of 2w1k by Molmil](/molmil-images/mine/2w1k) | Crystal Structure of Sortase C-3 (SRTC-3) from Streptococcus pneumoniae | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PUTATIVE SORTASE | Authors: | Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. | Deposit date: | 2008-10-17 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
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3OZA
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![BU of 3oza by Molmil](/molmil-images/mine/3oza) | |
3P04
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![BU of 3p04 by Molmil](/molmil-images/mine/3p04) | Crystal Structure of the BCR protein from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR8 | Descriptor: | Uncharacterized BCR | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Hamilton, H, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-27 | Release date: | 2010-10-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the BCR protein from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR8. To be Published
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3OKZ
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![BU of 3okz by Molmil](/molmil-images/mine/3okz) | Crystal Structure of protein gbs0355 from Streptococcus agalactiae, Northeast Structural Genomics Consortium Target SaR127 | Descriptor: | Putative uncharacterized protein gbs0355 | Authors: | Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-08-25 | Release date: | 2010-09-22 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Northeast Structural Genomics Consortium Target SaR127 To be Published
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8RWL
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![BU of 8rwl by Molmil](/molmil-images/mine/8rwl) | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | Descriptor: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | Authors: | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | Deposit date: | 2024-02-05 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme. To Be Published
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3MRO
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![BU of 3mro by Molmil](/molmil-images/mine/3mro) | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant | Descriptor: | 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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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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1O7T
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![BU of 1o7t by Molmil](/molmil-images/mine/1o7t) | Metal nanoclusters bound to the Ferric Binding Protein from Neisseria gonorrhoeae. | Descriptor: | HF OXO CLUSTER HF5, HF-OXO-PHOSPHATE CLUSTER PHF, IRON BINDING PROTEIN, ... | Authors: | Alexeev, D, Zu, H, Guo, M, Zhong, W, Hunter, D.J.B, Yang, W, Campopiano, D.J, Sadler, P.J. | Deposit date: | 2002-11-12 | Release date: | 2003-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A novel protein-mineral interface. Nat. Struct. Biol., 10, 2003
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3ML3
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![BU of 3ml3 by Molmil](/molmil-images/mine/3ml3) | Crystal structure of the IcsA autochaperone region | Descriptor: | Outer membrane protein icsA autotransporter | Authors: | Diezmann, D, Kuhnel, K. | Deposit date: | 2010-04-16 | Release date: | 2011-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Autochaperone Region from the Shigella flexneri Autotransporter IcsA J.Bacteriol., 193, 2011
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2VTD
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![BU of 2vtd by Molmil](/molmil-images/mine/2vtd) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | Deposit date: | 2008-05-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J. Med. Chem., 51, 2008
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4DT5
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![BU of 4dt5 by Molmil](/molmil-images/mine/4dt5) | Crystal Structure of Rhagium inquisitor Antifreeze Protein | Descriptor: | Antifreeze protein, GLYCEROL, SULFATE ION | Authors: | Meng, W, Nguyen, J.B, Hakim, A, Thakral, D, Zhu, D.F. | Deposit date: | 2012-02-20 | Release date: | 2013-03-13 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structure of an insect antifreeze protein and its implications for ice binding. J.Biol.Chem., 288, 2013
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3M8C
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![BU of 3m8c by Molmil](/molmil-images/mine/3m8c) | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound | Descriptor: | EQUILENIN, GLYCEROL, SULFATE ION, ... | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-03-17 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound TO BE PUBLISHED
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2VWL
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![BU of 2vwl by Molmil](/molmil-images/mine/2vwl) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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1OF3
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![BU of 1of3 by Molmil](/molmil-images/mine/1of3) | Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27 | Descriptor: | BETA-MANNOSIDASE, CALCIUM ION | Authors: | Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J. | Deposit date: | 2003-04-07 | Release date: | 2003-04-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27 Structure, 11, 2003
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8QYP
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![BU of 8qyp by Molmil](/molmil-images/mine/8qyp) | Beta-cardiac myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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2W9E
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![BU of 2w9e by Molmil](/molmil-images/mine/2w9e) | Structure of ICSM 18 (anti-Prp therapeutic antibody) Fab fragment complexed with human Prp fragment 119-231 | Descriptor: | ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, MAJOR PRION PROTEIN, ... | Authors: | Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J. | Deposit date: | 2009-01-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody. Proc.Natl.Acad.Sci.USA, 106, 2009
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