3MCI
 
 | | Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Molybdenum cofactor biosynthesis MOG | | Authors: | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-03-29 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
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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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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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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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7YM1
 | | Structure of SsbA protein in complex with the anticancer drug 5-fluorouracil | | Descriptor: | 5-FLUOROURACIL, GLYCEROL, Single-stranded DNA-binding protein | | Authors: | Huang, Y.H, Yang, P.C, Chiang, W.Y, Lin, E.S, Huang, C.Y. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
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3DCI
 | | The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58 | | Descriptor: | ACETIC ACID, Arylesterase, CHLORIDE ION, ... | | Authors: | Cuff, M.E, Xu, X, Zheng, H, Binkowski, T.A, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-06-03 | | Release date: | 2008-09-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58
TO BE PUBLISHED
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3DDQ
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Endicott, J.A. | | Deposit date: | 2008-06-06 | | Release date: | 2008-07-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
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3DDP
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2BTC
 | | BOVINE 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: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 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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8RGQ
 | | Open Complex I from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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8RGP
 | | Closed Complex I from murine brain | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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8RGR
 | | Closed Complex I from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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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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8RGT
 | | Open Complex I from murine brain | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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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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2BRC
 | | Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90. | | Descriptor: | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-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 (1.6 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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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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4WCI
 | | Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 | | Descriptor: | CD2-associated protein, Ras and Rab interactor 3, SULFATE ION | | Authors: | Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-04 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
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8RO0
 | | Structure of the C. elegans Intron Lariat Spliceosome primed for disassembly (ILS') | | Descriptor: | Cell division cycle 5-like protein, Coiled-coil domain-containing protein 12, GCF C-terminal domain-containing protein, ... | | Authors: | Vorlaender, M.K, Rothe, P, Plaschka, C. | | Deposit date: | 2024-01-11 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
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8RO1
 | | Structure of the C. elegans Intron Lariat Spliceosome double-primed for disassembly (ILS'') | | Descriptor: | CWF19-like protein 1 homolog, CWF19-like protein 2 homolog, Cell division cycle 5-like protein, ... | | Authors: | Vorlaender, M.K, Rothe, P, Plaschka, C. | | Deposit date: | 2024-01-11 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
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8RO2
 | | Integrative Structure of the human intron lariat Spliceosome (ILS'') | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX15, CWF19-like protein 1, ... | | Authors: | Rothe, P, Vorlaender, M.K, Plaschka, C. | | Deposit date: | 2024-01-11 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
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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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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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5NGQ
 | | Bicyclic antimicrobial peptides | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ... | | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2017-03-20 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
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