2BRE
 
 | | STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. | | Descriptor: | 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Pearl, L.H, Prodromou, C. | | Deposit date: | 2005-05-04 | | Release date: | 2005-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
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4WFH
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4WFE
 | | Human TRAAK K+ channel in a K+ bound conductive conformation | | Descriptor: | ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ... | | Authors: | Brohawn, S.G, MacKinnon, R. | | Deposit date: | 2014-09-15 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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4WFG
 | | Human TRAAK K+ channel in a Tl+ bound conductive conformation | | Descriptor: | ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ... | | Authors: | Brohawn, S.G, MacKinnon, R. | | Deposit date: | 2014-09-15 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
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4WFF
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9ETN
 | | Crystal structure of murine CRTAC1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Cartilage acidic protein 1, ... | | Authors: | Beugelink, J.W, Hof, H, Janssen, B.J.C. | | Deposit date: | 2024-03-26 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | CRTAC1 has a Compact beta-propeller-TTR Core Stabilized by Potassium Ions.
J.Mol.Biol., 436, 2024
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9FMD
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9ERX
 | | Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor | | Descriptor: | (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, Antibody ScFv16 Fab fragment, Cannabinoid receptor 1, ... | | Authors: | Thorsen, T.S, Kulkarni, Y, Boggild, A, Drace, T, Nissen, P, Gajhede, M, Boesen, T, Kastrup, J.S, Gloriam, D. | | Deposit date: | 2024-03-25 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of Delta 9 -THC analog activity at the Cannabinoid 1 receptor.
Res Sq, 2024
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5IAB
 | | Caspase 3 V266D | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAJ
 | | Caspase 3 V266L | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBP
 | | Caspase 3 V266M | | Descriptor: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9B
 | | Caspase 3 V266A | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBC
 | | Caspase 3 V266I | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9T
 | | Caspase 3 V266C | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-20 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAR
 | | Caspase 3 V266W | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3, ... | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6QDV
 | | Human post-catalytic P complex spliceosome | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | | Authors: | Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation.
Science, 363, 2019
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6QCI
 | | Structure of XIAP-BIR1 V86E mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Sorrentino, L, Cossu, F, Milani, M, Mastrangelo, E. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
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8WQ9
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7F16
 | | Cryo-EM structure of parathyroid hormone receptor type 2 in complex with a tuberoinfundibular peptide of 39 residues and G protein | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, X, Cheng, X, Zhao, L.H, Wang, Y, Ye, C, Zou, X, Dai, A, Cong, Z, Chen, J, Zhou, Q, Xia, T, Jiang, H, Xu, H.E, Yang, D, Wang, M.W. | | Deposit date: | 2021-06-08 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7FBP
 | | FXIIa-cMCoFx1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1 | | Authors: | Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
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2STB
 | | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | | Deposit date: | 1998-12-11 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
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7B9V
 | | Yeast C complex spliceosome at 2.8 Angstrom resolution with Prp18/Slu7 bound | | Descriptor: | 5' exon of UBC4 mRNA, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0054360.mRNA.1.CDS.1, ... | | Authors: | Wilkinson, M.E, Fica, S.M, Galej, W.P, Nagai, K. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for conformational equilibrium of the catalytic spliceosome.
Mol.Cell, 81, 2021
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5WOV
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5WOW
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