4HK3
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![BU of 4hk3 by Molmil](/molmil-images/mine/4hk3) | I2 Fab (unbound) from CH65-CH67 Lineage | Descriptor: | I2 heavy chain, I2 light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-14 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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3IDG
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![BU of 3idg by Molmil](/molmil-images/mine/3idg) | |
4HKX
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![BU of 4hkx by Molmil](/molmil-images/mine/4hkx) | Influenza hemagglutinin in complex with CH67 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH67 heavy chain, CH67 light chain, ... | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-15 | Release date: | 2012-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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2D03
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![BU of 2d03 by Molmil](/molmil-images/mine/2d03) | Crystal structure of the G91S mutant of the NNA7 Fab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Xie, K, Song, S.C, Spitalnik, S.L, Wedekind, J.E. | Deposit date: | 2005-07-23 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystallographic analysis of the NNA7 Fab and proposal for the mode of human blood-group recognition. Acta Crystallogr.,Sect.D, 61, 2005
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4HK0
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![BU of 4hk0 by Molmil](/molmil-images/mine/4hk0) | UCA Fab (unbound) from CH65-CH67 Lineage | Descriptor: | UCA heavy chain, UCA light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-14 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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1DDK
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![BU of 1ddk by Molmil](/molmil-images/mine/1ddk) | CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1DD6
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![BU of 1dd6 by Molmil](/molmil-images/mine/1dd6) | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | Descriptor: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ... | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-08 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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2IF7
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![BU of 2if7 by Molmil](/molmil-images/mine/2if7) | Crystal Structure of NTB-A | Descriptor: | CALCIUM ION, CHLORIDE ION, SLAM family member 6 | Authors: | Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C. | Deposit date: | 2006-09-20 | Release date: | 2006-10-17 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | NTB-A Receptor Crystal Structure: Insights into Homophilic Interactions in the Signaling Lymphocytic Activation Molecule Receptor Family. Immunity, 25, 2006
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3RIJ
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![BU of 3rij by Molmil](/molmil-images/mine/3rij) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | GLYCEROL, SC_2cx5 | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-13 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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2HUT
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![BU of 2hut by Molmil](/molmil-images/mine/2hut) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Sugahara, M, Saraboji, K, Malathy sony, S.M, Ponnuswamy, M.N, Kumarevel, T.S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-07-27 | Release date: | 2007-01-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2HUV
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![BU of 2huv by Molmil](/molmil-images/mine/2huv) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | PLATINUM (II) ION, Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Sugahara, M, Saraboji, K, Malathy sony, S.M, Ponnuswamy, M.N, Kumarevel, T.S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-07-27 | Release date: | 2007-01-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2I3S
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![BU of 2i3s by Molmil](/molmil-images/mine/2i3s) | Bub3 complex with Bub1 GLEBS motif | Descriptor: | Cell cycle arrest protein, Checkpoint serine/threonine-protein kinase | Authors: | Larsen, N.A, Harrison, S.C. | Deposit date: | 2006-08-20 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of Bub3 interactions in the mitotic spindle checkpoint. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2INY
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2CSE
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![BU of 2cse by Molmil](/molmil-images/mine/2cse) | Features of Reovirus Outer-Capsid Protein mu1 Revealed by Electron and Image Reconstruction of the virion at 7.0-A Resolution | Descriptor: | Minor core protein lambda 3, Sigma 2 protein, guanylyltransferase, ... | Authors: | Zhang, X, Ji, Y, Zhang, L, Harrison, S.C, Marinescu, D.C, Nibert, M.L, Baker, T.S. | Deposit date: | 2005-05-21 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Features of reovirus outer capsid protein mu1 revealed by electron cryomicroscopy and image reconstruction of the virion at 7.0 Angstrom resolution. Structure, 13, 2005
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3JYZ
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![BU of 3jyz by Molmil](/molmil-images/mine/3jyz) | Crystal structure of Pseudomonas aeruginosa (strain: Pa110594) typeIV pilin in space group P41212 | Descriptor: | SULFATE ION, Type IV pilin structural subunit | Authors: | Nguyen, Y, Jackson, S.G, Aidoo, F, Junop, M.S, Burrows, L.L. | Deposit date: | 2009-09-22 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural characterization of Novel Pseudomonas aeruginosa type IV pilins. J.Mol.Biol., 395, 2010
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2OCP
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![BU of 2ocp by Molmil](/molmil-images/mine/2ocp) | Crystal Structure of Human Deoxyguanosine Kinase | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxyguanosine kinase | Authors: | Johansson, K, Ramaswamy, S, Ljungkrantz, C, Knecht, W, Piskur, J, Munch-Petersen, B, Eriksson, S, Eklund, H. | Deposit date: | 2006-12-21 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Substrate Specificities of Cellular Deoxyribonucleoside Kinases. Nat.Struct.Biol., 8, 2001
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3FC6
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![BU of 3fc6 by Molmil](/molmil-images/mine/3fc6) | hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875 | Descriptor: | Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ... | Authors: | Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K. | Deposit date: | 2008-11-21 | Release date: | 2009-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.063 Å) | Cite: | Synthesis and SAR of potent LXR agonists containing an indole pharmacophore. Bioorg.Med.Chem.Lett., 19, 2009
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1HMV
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![BU of 1hmv by Molmil](/molmil-images/mine/1hmv) | THE STRUCTURE OF UNLIGANDED REVERSE TRANSCRIPTASE FROM THE HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66), MAGNESIUM ION | Authors: | Rodgers, D.W, Gamblin, S.J, Harris, B.A, Ray, S, Culp, J.S, Hellmig, B, Woolf, D.J, Debouck, C, Harrison, S.C. | Deposit date: | 1994-12-15 | Release date: | 1995-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structure of unliganded reverse transcriptase from the human immunodeficiency virus type 1. Proc.Natl.Acad.Sci.USA, 92, 1995
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1BP4
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![BU of 1bp4 by Molmil](/molmil-images/mine/1bp4) | USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | Deposit date: | 1998-08-12 | Release date: | 1999-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
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2F9B
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![BU of 2f9b by Molmil](/molmil-images/mine/2f9b) | Discovery of Novel Heterocyclic Factor VIIa Inhibitors | Descriptor: | Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID | Authors: | Rai, R, Kolesnikov, A, Sprengeler, P.A, Torkelson, S, Ton, T, Katz, B.A, Yu, C, Hendrix, J, Shrader, W.D, Stephens, R, Cabuslay, R, Sanford, E, Young, W.B. | Deposit date: | 2005-12-05 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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1Q9C
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![BU of 1q9c by Molmil](/molmil-images/mine/1q9c) | |
2C1N
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![BU of 2c1n by Molmil](/molmil-images/mine/2c1n) | Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE | Authors: | Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C. | Deposit date: | 2005-09-16 | Release date: | 2005-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3. Mol.Cell, 20, 2005
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2BWH
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![BU of 2bwh by Molmil](/molmil-images/mine/2bwh) | Laue Structure of a Short Lived State of L29W Myoglobin | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schmidt, M, Nienhaus, K, Pahl, R, Krasselt, A, Anderson, S, Parak, F, Nienhaus, G.U, Srajer, V. | Deposit date: | 2005-07-14 | Release date: | 2005-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand migration pathway and protein dynamics in myoglobin: a time-resolved crystallographic study on L29W MbCO. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2C1J
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![BU of 2c1j by Molmil](/molmil-images/mine/2c1j) | Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE | Authors: | Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C. | Deposit date: | 2005-09-15 | Release date: | 2005-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3. Mol.Cell, 20, 2005
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2BF1
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![BU of 2bf1 by Molmil](/molmil-images/mine/2bf1) | Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, B, Vogan, E.M, Gong, H, Skehel, J.J, Wiley, D.C, Harrison, S.C. | Deposit date: | 2004-12-02 | Release date: | 2005-02-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core Nature, 433, 2005
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