5V5M
 
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6AVF
 | | Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex | | Descriptor: | ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gully, B.S, Gras, S, Rossjohn, J. | | Deposit date: | 2017-09-02 | | Release date: | 2018-02-28 | | Last modified: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (2.028 Å) | | Cite: | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
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1UXW
 | | CRYSTAL STRUCTURE OF HLA-B*2709 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2) OF EPSTEIN-BARR VIRUS | | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-03-01 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
J.Biol.Chem., 280, 2005
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1UXS
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2)OF EPSTEIN-BARR VIRUS | | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-03-01 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
J.Biol.Chem., 280, 2005
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6AT5
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7CHV
 | | Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Li, G.-B. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
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5V5L
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1W00
 | | Crystal structure of mutant enzyme D103L of Ketosteroid Isomerase from Pseudomonas putida biotype B | | Descriptor: | STEROID DELTA-ISOMERASE | | Authors: | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | | Deposit date: | 2004-05-30 | | Release date: | 2005-05-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B
Biochem.J., 382, 2004
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1AN2
 | | RECOGNITION BY MAX OF ITS COGNATE DNA THROUGH A DIMERIC B/HLH/Z DOMAIN | | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*AP*GP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*C P*TP*AP*CP*AP*C)- 3'), PROTEIN (TRANSCRIPTION FACTOR MAX (TF MAX)) | | Authors: | Ferre-D'Amare, A.R, Prendergast, G.C, Ziff, E.B, Burley, S.K. | | Deposit date: | 1996-09-06 | | Release date: | 1997-09-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recognition by Max of its cognate DNA through a dimeric b/HLH/Z domain.
Nature, 363, 1993
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4RRO
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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4RRS
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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6TNN
 | | Mini-RNase III (Mini-III) bound to 50S ribosome with precursor 23S rRNA | | Descriptor: | 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C. | | Deposit date: | 2019-12-09 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.
Mol.Cell, 80, 2020
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5TU8
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1GPN
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HUPERZINE B | | Authors: | Dvir, H, Harel, M, Jiang, H.L, Silman, I, Sussman, J.L. | | Deposit date: | 2001-11-07 | | Release date: | 2002-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
Biochemistry, 41, 2002
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4RRN
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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1NSD
 | | INFLUENZA B VIRUS NEURAMINIDASE CAN SYNTHESIZE ITS OWN INHIBITOR | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Burmeister, W.P, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 1993-05-24 | | Release date: | 1993-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influenza B virus neuraminidase can synthesize its own inhibitor.
Structure, 1, 1993
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6MFP
 | | Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1 | | Descriptor: | 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, CHLORIDE ION, ... | | Authors: | Tolbert, W.D, Young, B, Pazgier, M. | | Deposit date: | 2018-09-11 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
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5DLX
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide | | Descriptor: | Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide | | Authors: | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | Deposit date: | 2015-09-07 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
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1W1T
 | | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 A resolution | | Descriptor: | CHITINASE B, CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, van Aalten, D.M.F. | | Deposit date: | 2004-06-24 | | Release date: | 2005-01-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors
J.Med.Chem., 47, 2004
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3IXB
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1P96
 | | Solution Structure of a Wedge-Shaped Synthetic Molecule at a Two-Base Bulge Site in DNA | | Descriptor: | 5'-D(*CP*AP*CP*GP*CP*AP*GP*TP*TP*CP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*GP*AP*TP*GP*CP*GP*TP*G)-3', SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, ... | | Authors: | Hwang, G.S, Jones, G.B, Goldberg, I.H. | | Deposit date: | 2003-05-09 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Wedge-Shaped Synthetic Molecule at a Two-Base Bulge Site in DNA
Biochemistry, 42, 2003
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3LN4
 | | Crystal structure of HLA-B*4103 in complex with a 16mer self-peptide derived from heterogeneous nuclear ribonucleoproteins C1/C2 | | Descriptor: | 16-mer peptide from Heterogeneous nuclear ribonucleoproteins C1/C2, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Theodossis, A, Gras, S, Rossjohn, J. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.296 Å) | | Cite: | The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
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3L88
 | | Crystal structure of the human Adenovirus type 21 fiber knob | | Descriptor: | CHLORIDE ION, Fiber protein, GLYCEROL, ... | | Authors: | Cupelli, K, Jost, M, Persson, B.D, Stehle, T. | | Deposit date: | 2009-12-30 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of adenovirus type 21 knob in complex with CD46 reveals key differences in receptor contacts among species B adenoviruses.
J.Virol., 84, 2010
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6MFJ
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4P0N
 | | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | | Descriptor: | GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
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