6EAW
 
 | | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.289 Å) | | Cite: | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
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5C0K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6RRK
 | | Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-20 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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8QV7
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5C7J
 | | CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT | | Descriptor: | E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C | | Authors: | Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-24 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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4Y3D
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5TXK
 | | CRYSTAL STRUCTURE OF USP35 C450S IN COMPLEX WITH UBIQUITIN | | Descriptor: | 1,2-ETHANEDIOL, Polyubiquitin-B, SULFATE ION, ... | | Authors: | Bader, G, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Expansion of DUB functionality generated by alternative isoforms - USP35, a case study.
J. Cell. Sci., 131, 2018
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6ECV
 | | StiD O-MT residues 976-1266 | | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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4A2I
 | | Cryo-electron Microscopy Structure of the 30S Subunit in Complex with the YjeQ Biogenesis Factor | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Jomaa, A, Stewart, G, Mears, J.A, Kireeva, I, Brown, E.D, Ortega, J. | | Deposit date: | 2011-09-27 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16.5 Å) | | Cite: | Cryo-Electron Microscopy Structure of the 30S Subunit in Complex with the Yjeq Biogenesis Factor.
RNA, 17, 2011
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5TXS
 | | Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-15 alpha chain, ... | | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | | Deposit date: | 2016-11-17 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
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6UBS
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Apo/Resting conformation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ... | | Authors: | Kumar, A, Basak, S, Chakrapani, S. | | Deposit date: | 2019-09-12 | | Release date: | 2020-07-29 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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6RJJ
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3-bis(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-04-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.056 Å) | | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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5C91
 | | NEDD4 HECT with covalently bound indole-based inhibitor | | Descriptor: | E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | | Authors: | Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. | | Deposit date: | 2015-06-26 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism.
J. Am. Chem. Soc., 137, 2015
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6ALX
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7TVI
 | | Alpha1/BetaB Heteromeric Glycine Receptor in Glycine-Bound State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor beta subunit 2, ... | | Authors: | Gibbs, E, Chakrapani, S, Kumar, A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
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8RD6
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6EFV
 | | The NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation that is unique to this diflavin reductase | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tavolieri, A.M, Askenasy, I, Murray, D.T, Pennington, J.M, Stroupe, M.E. | | Deposit date: | 2018-08-17 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation unique to this diflavin reductase.
J. Struct. Biol., 205, 2019
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5TYZ
 | | DNA Polymerase Mu Product Complex, Mn2+ (960 min) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2016-11-21 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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4XMW
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7TU9
 | | Alpha1/BetaB Heteromeric Glycine Receptor in Strychnine-Bound State | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor beta subunit 2, ... | | Authors: | Gibbs, E, Kumar, A, Chakrapani, S. | | Deposit date: | 2022-02-02 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
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7U70
 | | Crystal Structure of CTX-M-14 with compound 2 | | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2022-03-07 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
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3LK4
 | | Crystal structure of CapZ bound to the uncapping motif from CD2AP | | Descriptor: | CD2-associated protein, F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2 | | Authors: | Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C. | | Deposit date: | 2010-01-27 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
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5KHJ
 | | HCN2 CNBD in complex with uridine-3', 5'-cyclic monophosphate (cUMP) | | Descriptor: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Uridine-3',5'-cyclic monophosphate | | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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6RQI
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-fluorobenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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2X4U
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | Deposit date: | 2010-02-02 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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