4UX8
 
 | | RET recognition of GDNF-GFRalpha1 ligand by a composite binding site promotes membrane-proximal self-association | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF FAMILY RECEPTOR ALPHA-1, ... | | Authors: | Goodman, K, Kjaer, S, Beuron, F, Knowles, P, Nawrotek, A, Burns, E, Purkiss, A, George, R, Santoro, M, Morris, E.P, McDonald, N.Q. | | Deposit date: | 2014-08-19 | | Release date: | 2014-10-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (24 Å) | | Cite: | Ret Recognition of Gdnf-Gfralpha1 Ligand by a Composite Binding Site Promotes Membrane-Proximal Self-Association.
Cell Rep., 8, 2014
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4V2Q
 | | Ironing out their differences: Dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase | | Descriptor: | PHENYLALANINE AMMONIA-LYASE | | Authors: | Heberling, M, Masman, M, Bartsch, S, Wybenga, G.G, Dijkstra, B.W, Marrink, S, Janssen, D. | | Deposit date: | 2014-10-14 | | Release date: | 2014-12-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ironing Out Their Differences: Dissecting the Structural Determinants of a Phenylalanine Aminomutase and Ammonia Lyase.
Acs Chem.Biol., 10, 2015
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4WDG
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4UWT
 | | Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ... | | Authors: | Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J. | | Deposit date: | 2014-08-14 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
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3KES
 | | Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group | | Descriptor: | 1,2-ETHANEDIOL, Nucleoporin NUP145 | | Authors: | Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-10-26 | | Release date: | 2009-12-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145.
Proteins, 78, 2010
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5JDT
 | | Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K | | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | | Deposit date: | 2016-04-17 | | Release date: | 2016-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
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6ZG9
 | | Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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4W2G
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (soaked), mRNA and three deacylated tRNAs in the A, P and E sites | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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4WDD
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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3KEK
 | | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | | Descriptor: | CALCIUM ION, Collagenase 3, ZINC ION, ... | | Authors: | Shieh, H.-S, Collins, B, Schnute, M.E. | | Deposit date: | 2009-10-26 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2009
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4UQF
 | | CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I | | Descriptor: | GTP cyclohydrolase 1 | | Authors: | Schuessler, S, Perbandt, M, Fischer, M, Graewert, T. | | Deposit date: | 2014-06-23 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target.
Acta Crystallogr.,Sect.F, 75, 2019
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3KEJ
 | | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | | Descriptor: | 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Shieh, H.-S, Collins, B, Schnute, M.E. | | Deposit date: | 2009-10-26 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
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1R08
 | | STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES | | Descriptor: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Badger, J, Smith, T.J, Rossmann, M.G. | | Deposit date: | 1988-10-03 | | Release date: | 1990-01-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
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1R09
 | | HUMAN RHINOVIRUS 14 COMPLEXED WITH ANTIVIRAL COMPOUND R 61837 | | Descriptor: | 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE, DIMETHYL SULFOXIDE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), ... | | Authors: | Chapman, M.S, Minor, I, Rossmann, M.G, Diana, G.D, Andries, K. | | Deposit date: | 1990-05-04 | | Release date: | 1991-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human rhinovirus 14 complexed with antiviral compound R 61837.
J.Mol.Biol., 217, 1991
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1QJU
 | | HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP61209 | | Descriptor: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ... | | Authors: | Hadfield, A.T, Minor, I, Diana, G.D, Rossmann, M.G. | | Deposit date: | 1999-07-05 | | Release date: | 1999-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
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1QB1
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3J9F
 | | Poliovirus complexed with soluble, deglycosylated poliovirus receptor (Pvr) at 4 degrees C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... | | Authors: | Strauss, M, Filman, D.J, Belnap, D.M, Cheng, N, Noel, R.T, Hogle, J.M. | | Deposit date: | 2015-01-15 | | Release date: | 2015-02-11 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Nectin-Like Interactions between Poliovirus and Its Receptor Trigger Conformational Changes Associated with Cell Entry.
J.Virol., 89, 2015
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2PNC
 | | Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine | | Descriptor: | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L. | | Deposit date: | 2007-04-24 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences
Mol.Pharmacol., 73, 2008
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5J94
 | | Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345 | | Descriptor: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION | | Authors: | Novinec, M, Korenc, M, Lenarcic, B, Baici, A. | | Deposit date: | 2016-04-08 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22002459 Å) | | Cite: | A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods.
Nat Commun, 5, 2014
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5J9A
 | | Ambient temperature transition state structure of arginine kinase - crystal 11/Form II | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
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5J9C
 | | Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant | | Descriptor: | MAGNESIUM ION, peroxiredoxin Asp f3 | | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | | Deposit date: | 2016-04-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
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4W8I
 | | Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase | | Descriptor: | Probable sphingosine-1-phosphate lyase | | Authors: | Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-24 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5J0M
 | | Ground state sampled during RDC restrained Replica-averaged Metadynamics (RAM) simulations of the HIV-1 TAR complexed with cyclic peptide mimetic of Tat | | Descriptor: | Apical region (29-mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat | | Authors: | Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. | | Deposit date: | 2016-03-28 | | Release date: | 2016-06-08 | | Last modified: | 2019-10-23 | | Method: | SOLUTION NMR | | Cite: | Structure of a low-population binding intermediate in protein-RNA recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5ITT
 | | Crystal Structure of Human NEIL1 bound to duplex DNA containing THF | | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IWH
 | | Structure of P. vulgaris HigB toxin delta H92 | | Descriptor: | CHLORIDE ION, Endoribonuclease HigB | | Authors: | Schureck, M.A, Repack, A.A, Miles, S.J, Marquez, J, Dunham, C.M. | | Deposit date: | 2016-03-22 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Mechanism of endonuclease cleavage by the HigB toxin.
Nucleic Acids Res., 44, 2016
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