2CLZ
 
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide | | Descriptor: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | Authors: | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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2O1H
 | | Naturally occurring mutation of Humna ABO(H) Galactosyltransferase in complex with UDP: GTB/M214T_UDP | | Descriptor: | ABO glycosyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ... | | Authors: | Letts, J.A, Borisova, S.N, Evans, S.V. | | Deposit date: | 2006-11-28 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural effects of naturally occurring human blood group B galactosyltransferase mutations adjacent to the DXD motif.
J.Biol.Chem., 282, 2007
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3Q3Y
 | | Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404) | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, HEVB EV93 3C protease, ... | | Authors: | Costenaro, L, Kaczmarska, Z, Arnan, C, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. | | Deposit date: | 2010-12-22 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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4R4E
 | | Structure of GlnR-DNA complex | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DNA (5'-D(*AP*TP*TP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*AP*GP*TP*A)-3'), ... | | Authors: | Schumacher, M.A. | | Deposit date: | 2014-08-19 | | Release date: | 2015-03-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
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1O6K
 | | Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP | | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D. | | Deposit date: | 2002-10-08 | | Release date: | 2002-11-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp
Nat.Struct.Biol., 9, 2002
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2O1F
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1OIN
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, BETA-GLUCOSIDASE A | | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | | Deposit date: | 2003-06-19 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
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1S4G
 | | Somatomedin-B Domain of human plasma vitronectin. | | Descriptor: | HYDROXIDE ION, Vitronectin | | Authors: | Mayasundari, A, Whittemore, N.A, Serpersu, E.H, Peterson, C.B. | | Deposit date: | 2004-01-16 | | Release date: | 2004-06-08 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the N-terminal domain of human vitronectin: proximal sites that regulate fibrinolysis and cell migration
J.Biol.Chem., 279, 2004
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3AQB
 | | M. luteus B-P 26 heterodimeric hexaprenyl diphosphate synthase in complex with magnesium | | Descriptor: | CHLORIDE ION, Component A of hexaprenyl diphosphate synthase, Component B of hexaprenyl diphosphate synthase, ... | | Authors: | Sasaki, D, Fujihashi, M, Okuyama, N, Kobayashi, Y, Noike, M, Koyama, T, Miki, K. | | Deposit date: | 2010-10-28 | | Release date: | 2010-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of heterodimeric hexaprenyl diphosphate synthase from Micrococcus luteus B-P 26 reveals that the small subunit is directly involved in the product chain length regulation.
J.Biol.Chem., 286, 2011
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1S17
 | | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | | Deposit date: | 2004-01-05 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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1M0F
 | | Structural Studies of Bacteriophage alpha3 Assembly, Cryo-electron microscopy | | Descriptor: | Capsid Protein F, Major Spike Protein G, Scaffolding Protein B, ... | | Authors: | Bernal, R.A, Hafenstein, S, Olson, N.H, Bowman, V.D, Chipman, P.R, Baker, T.S, Fane, B.A, Rossmann, M.G. | | Deposit date: | 2002-06-12 | | Release date: | 2002-12-25 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Structural Studies of Bacteriophage alpha3 Assembly
J.Mol.Biol., 325, 2003
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1ABB
 | | CONTROL OF PHOSPHORYLASE B CONFORMATION BY A MODIFIED COFACTOR: CRYSTALLOGRAPHIC STUDIES ON R-STATE GLYCOGEN PHOSPHORYLASE RECONSTITUTED WITH PYRIDOXAL 5'-DIPHOSPHATE | | Descriptor: | GLYCOGEN PHOSPHORYLASE B, INOSINIC ACID, PYRIDOXAL-5'-DIPHOSPHATE, ... | | Authors: | Leonidas, D.D, Oikonomakos, N.G, Papageorgiou, A.C, Acharya, K.R, Barford, D, Johnson, L.N. | | Deposit date: | 1992-04-09 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Control of phosphorylase b conformation by a modified cofactor: crystallographic studies on R-state glycogen phosphorylase reconstituted with pyridoxal 5'-diphosphate.
Protein Sci., 1, 1992
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1YM0
 | | Crystal Structure of Earthworm Fibrinolytic Enzyme Component B: a Novel, Glycosylated Two-chained Trypsin | | Descriptor: | MAGNESIUM ION, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, F, Wang, C, Li, M, Zhang, J.P, Gui, L.L, An, X.M, Chang, W.R. | | Deposit date: | 2005-01-20 | | Release date: | 2005-04-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of earthworm fibrinolytic enzyme component B: a novel, glycosylated two-chained trypsin.
J.Mol.Biol., 348, 2005
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1D3D
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ... | | Authors: | Chirgadze, N.Y. | | Deposit date: | 1999-09-29 | | Release date: | 2000-10-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors
Protein Sci., 9, 2000
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1LFH
 | | MOLECULAR REPLACEMENT SOLUTION OF THE STRUCTURE OF APOLACTOFERRIN, A PROTEIN DISPLAYING LARGE-SCALE CONFORMATIONAL CHANGE | | Descriptor: | CHLORIDE ION, LACTOFERRIN | | Authors: | Anderson, B.F, Baker, E.N, Norris, G.E. | | Deposit date: | 1991-09-04 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular replacement solution of the structure of apolactoferrin, a protein displaying large-scale conformational change.
Acta Crystallogr.,Sect.B, 47, 1991
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5UQM
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431D
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1I30
 | | E. Coli Enoyl Reductase +NAD+SB385826 | | Descriptor: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | Deposit date: | 2001-02-12 | | Release date: | 2002-02-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
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3NAN
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
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3QUL
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | Deposit date: | 2011-02-24 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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3UPR
 | | HLA-B*57:01 complexed to pep-V and Abacavir | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Pompeu, Y.A, Ostrov, D.A. | | Deposit date: | 2011-11-18 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2O1G
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4R22
 | | TnrA-DNA complex | | Descriptor: | DNA (5'-D(*CP*GP*TP*GP*TP*AP*AP*GP*GP*AP*AP*TP*TP*CP*TP*GP*AP*CP*AP*CP*G)-3'), HTH-type transcriptional regulator TnrA | | Authors: | Schumacher, M.A. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
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2NTZ
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