1C0Q
 
 | | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | | Deposit date: | 1999-07-20 | | Release date: | 1999-07-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
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8FNV
 | | Structure of RdrB from Escherichia coli RADAR defense system | | Descriptor: | Adenosine deaminase, ZINC ION | | Authors: | Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J. | | Deposit date: | 2022-12-28 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
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8FLP
 | | NMR Solution Structure of LvIC analogue | | Descriptor: | Alpha-conotoxin LvIC analogue | | Authors: | Harvey, P.J, Craik, D.J. | | Deposit date: | 2022-12-22 | | Release date: | 2023-02-08 | | Last modified: | 2023-02-22 | | Method: | SOLUTION NMR | | Cite: | Discovery, Characterization, and Engineering of LvIC, an alpha 4/4-Conotoxin That Selectively Blocks Rat alpha 6/ alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 66, 2023
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4ZJC
 | | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | | Descriptor: | OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase | | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M. | | Deposit date: | 2015-04-29 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.832 Å) | | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
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2RKJ
 | | Cocrystal structure of a tyrosyl-tRNA synthetase splicing factor with a group I intron RNA | | Descriptor: | RNA (238-MER), RNA (5'-R(P*GP*CP*UP*U)-3'), Tyrosyl-tRNA synthetase | | Authors: | Paukstelis, P.J, Chen, J.-H, Chase, E, Lambowitz, A.M, Golden, B.L. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structure of a tyrosyl-tRNA synthetase splicing factor bound to a group I intron RNA.
Nature, 451, 2008
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8FNU
 | | Structure of RdrA from Streptococcus suis RADAR defense system | | Descriptor: | KAP NTPase domain-containing protein | | Authors: | Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J. | | Deposit date: | 2022-12-28 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
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1W4J
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | | Descriptor: | PYRUVATE DEHYDROGENASE E2 | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family.
J. Mol. Biol., 353, 2005
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4Z78
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8G44
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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3CQQ
 | | Human SOD1 G85R Variant, Structure II | | Descriptor: | ACETYL GROUP, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Cao, X, Antonyuk, S, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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2PYF
 | | Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry Unbound TCR Clone 5-1 | | Descriptor: | SULFATE ION, T-Cell Receptor, Alpha Chain, ... | | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | | Deposit date: | 2007-05-16 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
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1BSX
 | | STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, PROTEIN (GRIP1), PROTEIN (THYROID HORMONE RECEPTOR BETA) | | Authors: | Wagner, R.L, Darimont, B.D, Apriletti, J.W, Stallcup, M.R, Kushner, P.J, Baxter, J.D, Fletterick, R.J, Yamamoto, K.R. | | Deposit date: | 1998-08-31 | | Release date: | 1999-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure and specificity of nuclear receptor-coactivator interactions.
Genes Dev., 12, 1998
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1BWR
 | | PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Authors: | Ho, Y.S, Sheffield, P.J, Masuyama, J, Arai, H, Li, J, Aoki, J, Inoue, K, Derewenda, U, Derewenda, Z. | | Deposit date: | 1998-09-27 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase
Protein Eng., 12, 1999
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5AAE
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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3BBH
 | | M. jannaschii Nep1 complexed with Sinefungin | | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like, SINEFUNGIN | | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | | Deposit date: | 2007-11-09 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site.
Nucleic Acids Res., 36, 2008
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3BBE
 | | M. jannaschii Nep1 | | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like | | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | | Deposit date: | 2007-11-09 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site.
Nucleic Acids Res., 36, 2008
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7K8P
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2PZX
 | | Structure of the methuselah ectodomain with peptide inhibitor | | Descriptor: | G-protein coupled receptor Mth | | Authors: | West Jr, A.P, Ja, W.W, Delker, S.L, Bjorkman, P.J, Benzer, S, Roberts, R.W. | | Deposit date: | 2007-05-18 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor.
Nat.Chem.Biol., 3, 2007
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1XEE
 | | Solution structure of the Chemotaxis Inhibitory Protein of Staphylococcus aureus | | Descriptor: | chemotaxis-inhibiting protein CHIPS | | Authors: | Haas, P.J, de Haas, C.J, Poppelier, M.J, van Kessel, K.P, van Strijp, J.A, Dijkstra, K, Scheek, R.M, Fan, H, Kruijtzer, J.A, Liskamp, R.M, Kemmink, J. | | Deposit date: | 2004-09-10 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules
J.Mol.Biol., 353, 2005
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7JM1
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, Aminocyclitol acetyltransferase ApmA | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-30 | | Release date: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with acetyl-CoA
To Be Published
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4ZIO
 | | Irradiated state of mCherry143azF | | Descriptor: | SULFATE ION, mCherry | | Authors: | Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D. | | Deposit date: | 2015-04-28 | | Release date: | 2015-09-16 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
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1X9N
 | | Crystal Structure of Human DNA Ligase I bound to 5'-adenylated, nicked DNA | | Descriptor: | 5'-phosphorylated DNA, ADENOSINE MONOPHOSPHATE, DNA ligase I, ... | | Authors: | Pascal, J.M, O'Brien, P.J, Tomkinson, A.E, Ellenberger, T. | | Deposit date: | 2004-08-23 | | Release date: | 2004-11-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human DNA ligase I completely encircles and partially unwinds nicked DNA.
Nature, 432, 2004
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5AAG
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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1XD3
 | | Crystal structure of UCHL3-UbVME complex | | Descriptor: | MAGNESIUM ION, METHYL 4-AMINOBUTANOATE, UBC protein, ... | | Authors: | Misaghi, S, Galardy, P.J, Meester, W.J.N, Ovaa, H, Ploegh, H.L, Gaudet, R. | | Deposit date: | 2004-09-03 | | Release date: | 2004-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of the Ubiquitin Hydrolase UCH-L3 Complexed with a Suicide Substrate
J.Biol.Chem., 280, 2005
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1XBO
 | | PTP1B complexed with Isoxazole Carboxylic Acid | | Descriptor: | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Zhao, H, Liu, G, Xin, Z, Serby, M, Pei, Z, Szczepankiewicz, B.G, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Lubben, T.H, Ballaron, S.J, Hassach, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | | Deposit date: | 2004-08-31 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
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