3BQL
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3BRH
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3IT7
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![BU of 3it7 by Molmil](/molmil-images/mine/3it7) | Crystal Structure of the LasA virulence factor from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Protease lasA, ... | Authors: | Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol., 396, 2010
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3BIB
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![BU of 3bib by Molmil](/molmil-images/mine/3bib) | Tim-4 in complex with phosphatidylserine | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | Deposit date: | 2007-11-30 | Release date: | 2008-01-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds. Immunity, 27, 2007
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3BGM
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![BU of 3bgm by Molmil](/molmil-images/mine/3bgm) | Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | Deposit date: | 2007-11-27 | Release date: | 2008-10-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self Nat.Immunol., 9, 2008
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3IWD
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3BI7
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![BU of 3bi7 by Molmil](/molmil-images/mine/3bi7) | Crystal structure of the SRA domain of E3 ubiquitin-protein ligase UHRF1 | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-30 | Release date: | 2007-12-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1. Nature, 455, 2008
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3BIV
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![BU of 3biv by Molmil](/molmil-images/mine/3biv) | Human thrombin-in complex with UB-THR11 | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ... | Authors: | Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G. | Deposit date: | 2007-12-01 | Release date: | 2007-12-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons Angew.Chem.Int.Ed.Engl., 46, 2007
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3BJ4
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3B3A
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![BU of 3b3a by Molmil](/molmil-images/mine/3b3a) | Structure of E163K/R145E DJ-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | Deposit date: | 2007-10-19 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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2H2Q
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![BU of 2h2q by Molmil](/molmil-images/mine/2h2q) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Senkovich, O, Schormann, N, Chattopadhyay, D. | Deposit date: | 2006-05-19 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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3B5G
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3IWC
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3C2M
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![BU of 3c2m by Molmil](/molmil-images/mine/3c2m) | Ternary complex of DNA POLYMERASE BETA with a G:dAPCPP mismatch in the active site | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DGP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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3IWB
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![BU of 3iwb by Molmil](/molmil-images/mine/3iwb) | T. maritima AdoMetDC in processed form | Descriptor: | S-adenosylmethionine decarboxylase | Authors: | Bale, S, Kavita, B, Ealick, S.E. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity. Acta Crystallogr.,Sect.D, 66, 2010
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3BM4
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![BU of 3bm4 by Molmil](/molmil-images/mine/3bm4) | Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr | Descriptor: | ADP-sugar pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MAGNESIUM ION | Authors: | Zha, M, Guo, Q, Zhang, Y, Zhong, C, Ou, Y, Ding, J. | Deposit date: | 2007-12-12 | Release date: | 2008-05-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Mechanism of ADP-Ribose Hydrolysis By Human NUDT5 From Structural and Kinetic Studies J.Mol.Biol., 379, 2008
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3L94
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![BU of 3l94 by Molmil](/molmil-images/mine/3l94) | Structure of PvdQ covalently acylated with myristate | Descriptor: | 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ... | Authors: | Drake, E.J, Gulick, A.M. | Deposit date: | 2010-01-04 | Release date: | 2011-01-26 | Last modified: | 2013-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis. Acs Chem.Biol., 6, 2011
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2WYB
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![BU of 2wyb by Molmil](/molmil-images/mine/2wyb) | The quorum quenching N-acyl homoserine lactone acylase PvdQ with a covalently bound dodecanoic acid | Descriptor: | ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL, ... | Authors: | Bokhove, M, Nadal Jimenez, P, Quax, W.J, Dijkstra, B.W. | Deposit date: | 2009-11-16 | Release date: | 2009-12-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket Proc.Natl.Acad.Sci.USA, 107, 2010
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2WYD
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![BU of 2wyd by Molmil](/molmil-images/mine/2wyd) | The quorum quenching N-acyl homoserine lactone acylase PvdQ in complex with dodecanoic acid | Descriptor: | ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL, ... | Authors: | Bokhove, M, Nadal Jimenez, P, Quax, W.J, Dijkstra, B.W. | Deposit date: | 2009-11-16 | Release date: | 2009-12-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket Proc.Natl.Acad.Sci.USA, 107, 2010
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3C4C
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![BU of 3c4c by Molmil](/molmil-images/mine/3c4c) | B-Raf Kinase in Complex with PLX4720 | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | Authors: | Zhang, K.Y.J, Wang, W. | Deposit date: | 2008-01-29 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BUY
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![BU of 3buy by Molmil](/molmil-images/mine/3buy) | MHC-I in complex with peptide | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Rossjohn, J, La Gruta, N.L, Purcell, A.W, Turner, S.J, Dunstone, M.A. | Deposit date: | 2008-01-03 | Release date: | 2008-03-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Epitope-specific TCRbeta repertoire diversity imparts no functional advantage on the CD8+ T cell response to cognate viral peptides Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BV7
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![BU of 3bv7 by Molmil](/molmil-images/mine/3bv7) | Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A. | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-01-04 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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3BW9
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![BU of 3bw9 by Molmil](/molmil-images/mine/3bw9) | Crystal Structure of HLA B*3508 in complex with a HCMV 12-mer peptide from the pp65 protein | Descriptor: | Beta-2-microglobulin, CPS peptide from 65 kDa lower matrix phosphoprotein, HLA class I histocompatibility antigen, ... | Authors: | Wynn, K.K, Marland, Z, Cooper, L, Silins, S.L, Gras, S, Archbold, J.K, Tynan, F.E, Miles, J.J, McCluskey, J, Burrows, S.R, Rossjohn, J, Khanna, R. | Deposit date: | 2008-01-08 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Impact of clonal competition for peptide-MHC complexes on the CD8+ T-cell repertoire selection in a persistent viral infection Blood, 111, 2008
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2XBY
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![BU of 2xby by Molmil](/molmil-images/mine/2xby) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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3C39
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![BU of 3c39 by Molmil](/molmil-images/mine/3c39) | Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1 | Authors: | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | Deposit date: | 2008-01-28 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase Nucleic Acids Res., 36, 2008
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