4MC6
 
 | | HIV protease in complex with SA499 | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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3ZQJ
 | | Mycobacterium tuberculosis UvrA | | Descriptor: | UVRABC SYSTEM PROTEIN A, ZINC ION | | Authors: | Rossi, F, Khanduja, J.S, Bortoluzzi, A, Houghton, J, Sander, P, Guthlein, C, Davis, E.O, Springer, B, Bottger, E.C, Relini, A, Penco, A, Muniyappa, K, Rizzi, M. | | Deposit date: | 2011-06-09 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into its Mechanism of Action
Nucleic Acids Res., 39, 2011
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1W39
 | | Crystal structure of an artificial top component of turnip yellow mosaic virus | | Descriptor: | TURNIP YELLOW MOSAIC VIRUS EMPTY CAPSID | | Authors: | van Roon, A.M.M, Bink, H.H.J, Plaisier, J.R, Pleij, C.W.A, Abrahams, J.P, Pannu, N.S. | | Deposit date: | 2004-07-14 | | Release date: | 2004-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Crystal Structure of an Empty Capsid of Turnip Yellow Mosaic Virus.
J.Mol.Biol., 341, 2004
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4MC1
 | | HIV protease in complex with SA526P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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2WH7
 | | The partial structure of a group A streptpcoccal phage-encoded tail fibre hyaluronate lyase Hylp2 | | Descriptor: | HYALURONIDASE-PHAGE ASSOCIATED | | Authors: | Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J. | | Deposit date: | 2009-05-01 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
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2WB3
 | | The partial structure of a group A streptococcal phage-encoded tail fibre hyaluronate lyase Hylp3 | | Descriptor: | HYALURONIDASE-PHAGE ASSOCIATED | | Authors: | Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J. | | Deposit date: | 2009-02-20 | | Release date: | 2009-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
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1TT0
 | | Crystal Structure of Pyranose 2-Oxidase | | Descriptor: | ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hallberg, B.M, Leitner, C, Haltrich, D, Divne, C. | | Deposit date: | 2004-06-21 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the 270 kDa homotetrameric lignin-degrading enzyme pyranose 2-oxidase
J.Mol.Biol., 341, 2004
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1A60
 | | NMR STRUCTURE OF A CLASSICAL PSEUDOKNOT: INTERPLAY OF SINGLE-AND DOUBLE-STRANDED RNA, 24 STRUCTURES | | Descriptor: | TYMV PSEUDOKNOT | | Authors: | Kolk, M.H, Van Der Graaf, M, Wijmenga, S.S, Pleij, C.W.A, Heus, H.A, Hilbers, C.W. | | Deposit date: | 1998-03-04 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of a classical pseudoknot: interplay of single- and double-stranded RNA.
Science, 280, 1998
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4UDS
 | | Crystal structure of MbdR regulator from Azoarcus sp. CIB | | Descriptor: | MBDR REGULATOR | | Authors: | Liu, H, Liu, H.X, MacMahon, S.A, Juarez, J.F, Zamarro, M.T, Eberlein, C, Boll, M, Carmona, M, Diaz, E, Naismith, J.H. | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Unraveling the Specific Regulation of the Mbd Central Pathway for the Anaerobic Degradation of 3-Methylbenzoate.
J.Biol.Chem., 290, 2015
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2NNU
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | Deposit date: | 2012-01-23 | | Release date: | 2012-03-14 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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2Z2C
 | | MURA inhibited by unag-cnicin adduct | | Descriptor: | 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D. | | Deposit date: | 2007-05-17 | | Release date: | 2008-05-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
To be Published
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4G5P
 | | Crystal structure of EGFR kinase T790M in complex with BIBW2992 | | Descriptor: | Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-29 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
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4G5J
 | | Crystal structure of EGFR kinase in complex with BIBW2992 | | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-29 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
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6FIB
 | | Structure of human 4-1BB ligand | | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | | Deposit date: | 2018-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
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1YVM
 | | E. coli Methionine Aminopeptidase in complex with thiabendazole | | Descriptor: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, COBALT (II) ION, Methionine aminopeptidase, ... | | Authors: | Schiffmann, R, Heine, A, Klebe, G, Klein, C.D. | | Deposit date: | 2005-02-16 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal Ions as Cofactors for the Binding of Inhibitors to Methionine Aminopeptidase: A Critical View of the Relevance of In Vitro Metalloenzyme Assays.
Angew.Chem.Int.Ed.Engl., 44, 2005
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3GKW
 | | Crystal structure of the Fab fragment of Nimotuzumab. An anti-epidermal growth factor receptor antibody | | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of the antibody Nimotuzumab, Light chain of the antibody Nimotuzumab, ... | | Authors: | Talavera, A, Friemann, R, Martinez-Fleites, C, Moreno, E, Krengel, U. | | Deposit date: | 2009-03-11 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nimotuzumab, an antitumor antibody that targets the epidermal growth factor receptor, blocks ligand binding while permitting the active receptor conformation
Cancer Res., 69, 2009
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3UUO
 | | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | | Deposit date: | 2011-11-28 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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7BBG
 | | CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 | | Descriptor: | Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ... | | Authors: | Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
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8B6U
 | | Mpf2Ba1 monomer | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.134 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6W
 | | Mpf2Ba1 pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6V
 | | Mp2Ba1 pre-pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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3J2I
 | | Structure of late pre-60S ribosomal subunits with nuclear export factor Arx1 bound at the peptide exit tunnel | | Descriptor: | Eukaryotic translation initiation factor 6, Proliferation-associated protein 2G4 | | Authors: | Bradatsch, B, Leidig, C, Granneman, S, Gnaedig, M, Tollervey, D, Boettcher, B, Beckmann, R, Hurt, E. | | Deposit date: | 2012-10-04 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.9 Å) | | Cite: | Structure of the pre-60S ribosomal subunit with nuclear export factor Arx1 bound at the exit tunnel.
Nat.Struct.Mol.Biol., 19, 2012
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8BFB
 | | Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure (Methoxy-X04-labelled mice) | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
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8BFA
 | | Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
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