1BX8
 
 | | HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS | | Descriptor: | HIRUSTASIN, SULFATE ION | | Authors: | Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. | | Deposit date: | 1998-10-14 | | Release date: | 1999-04-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
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2UX3
 | | X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 9 in the neutral state | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Koepke, J, Diehm, R, Fritzsch, G. | | Deposit date: | 2007-03-26 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
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7HU5
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z768399682 | | Descriptor: | Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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2UWU
 | | X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 6.5 in the neutral state, 2nd dataset | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Koepke, J, Diehm, R, Fritzsch, G. | | Deposit date: | 2007-03-23 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
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3D44
 | | Crystal structure of HePTP in complex with a dually phosphorylated Erk2 peptide mimetic | | Descriptor: | CHLORIDE ION, GLYCEROL, Mitogen-activated protein kinase 1 peptide, ... | | Authors: | Critton, D.A, Tortajada, A, Page, R. | | Deposit date: | 2008-05-13 | | Release date: | 2009-03-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of substrate recognition by hematopoietic tyrosine phosphatase.
Biochemistry, 47, 2008
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3PSQ
 | | Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus biogenesis | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kang, H.J, Baker, E.N. | | Deposit date: | 2010-12-02 | | Release date: | 2011-01-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus assembly
Plos One, 6, 2011
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5TN7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | | Descriptor: | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.238 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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3D4Y
 | | GOLGI MANNOSIDASE II complex with mannoimidazole | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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1VLA
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2Y54
 | | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1) | | Descriptor: | CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... | | Authors: | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | | Deposit date: | 2011-01-12 | | Release date: | 2011-06-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011
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1VMA
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4CED
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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1VQ3
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4C71
 | | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE, 1,2-ETHANEDIOL, ... | | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
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5TA2
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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3PHB
 | | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG | | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Ho, M, Cassera, M.B, Murkin, A.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-11-03 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG
to be published
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1VET
 | | Crystal Structure of p14/MP1 at 1.9 A resolution | | Descriptor: | Late endosomal/lysosomal Mp1 interacting protein, Mitogen-activated protein kinase kinase 1 interacting protein 1 | | Authors: | Kurzbauer, R, Teis, D, Maurer-Stroh, S, Eisenhaber, F, Hekman, M, Bourenkov, G.P, Bartunik, H.D, Huber, L.A, Clausen, T. | | Deposit date: | 2004-04-05 | | Release date: | 2004-08-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the p14/MP1 scaffolding complex: How a twin couple attaches mitogen- activated protein kinase signaling to late endosomes
Proc.Natl.Acad.Sci.USA, 101, 2004
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1O2L
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-05-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
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4JX2
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7ZRS
 | | Structure of the RQT-bound 80S ribosome from S. cerevisiae (C2) - composite map | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
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7ZPQ
 | | Structure of the RQT-bound 80S ribosome from S. cerevisiae (C1) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-04-28 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
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4CEF
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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5T15
 | | Structural basis for gating and activation of RyR1 (30 uM Ca2+ dataset, all particles) | | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-08-17 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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4CEE
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | (2S)-6-[[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-11-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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7XTZ
 | | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-1 Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
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