1NMK
 
 | | The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data | | Descriptor: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Kallen, J, Sedrani, R, Wagner, J. | | Deposit date: | 2003-01-10 | | Release date: | 2003-04-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data
J.Am.Chem.Soc., 125, 2003
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6BPW
 | | Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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2B49
 | | Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase, non-receptor Type 3 | | Descriptor: | protein tyrosine phosphatase, non-receptor type 3 | | Authors: | Ugochukwu, E, Arrowsmith, C, Barr, A, Bunkoczi, G, Das, S, Debreczeni, J, Edwards, A, Eswaran, J, Knapp, S, Sundstrom, M, Turnbull, A, von Delft, F, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-23 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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7D60
 | | Cryo-EM Structure of human CALHM5 in the presence of rubidium red | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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7UP7
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | | Authors: | Yano, J.K, Abendroth, J, Hall, A. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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3SQF
 | | Crystal structure of monomeric M-PMV retroviral protease | | Descriptor: | Protease | | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | | Deposit date: | 2011-07-05 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6324 Å) | | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Nat.Struct.Mol.Biol., 18, 2011
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1GGE
 | | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, NATIVE STRUCTURE AT 1.9 A RESOLUTION. | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, PROTEIN (CATALASE HPII) | | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | | Deposit date: | 2000-08-16 | | Release date: | 2000-08-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
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2O7Y
 | | Duplex DNA containing an abasic site with an opposite T (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*TP*CP*TP*TP*TP*GP*G)-3' | | Authors: | Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | | Deposit date: | 2006-12-11 | | Release date: | 2007-11-27 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics.
Nucleic Acids Res., 36, 2008
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7D65
 | | Cryo-EM Structure of human CALHM5 in the presence of Ca2+ | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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4YLM
 | | Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway | | Descriptor: | GLYCEROL, Pyoverdine biosynthesis protein PvcB | | Authors: | Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A. | | Deposit date: | 2015-03-05 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products.
Biochemistry, 54, 2015
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1GGJ
 | | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201ALA VARIANT. | | Descriptor: | CATALASE HPII, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | | Deposit date: | 2000-08-21 | | Release date: | 2000-08-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
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6CDJ
 | | HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | | Descriptor: | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.
J. Med. Chem., 61, 2018
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6CDN
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2018-02-08 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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2IAQ
 | | Crystal structure of squid ganglion DFPase S271A mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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8P3T
 | | Homomeric GluA1 in tandem with TARP gamma-3, desensitized conformation 1 | | Descriptor: | Glutamate receptor 1 flip isoform, Voltage-dependent calcium channel gamma-3 subunit | | Authors: | Zhang, D, Krieger, J, Yamashita, K, Greger, I. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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2IAW
 | | Crystal structure of squid ganglion DFPase N175D mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
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7D61
 | | Cryo-EM Structure of human CALHM5 in the presence of EDTA | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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7UWF
 | | Human Rix1 sub-complex scaffold | | Descriptor: | Modulator of non-genomic activity of estrogen receptor, WD repeat-containing protein 18 | | Authors: | Gordon, J, Stanley, R.E. | | Deposit date: | 2022-05-03 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM reveals the architecture of the PELP1-WDR18 molecular scaffold.
Nat Commun, 13, 2022
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4K9C
 | | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID | | Descriptor: | 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid, ADENOSINE, DIMETHYL SULFOXIDE, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-19 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID
To be Published
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2AIR
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2IAP
 | | Crystal structure of squid ganglion DFPase E21Q mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAU
 | | Crystal structure of squid ganglion DFPase W244Y mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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4YUI
 | | Multiconformer synchrotron model of CypA at 180 K | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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6CKN
 | | Crystal structure of an AF10 fragment | | Descriptor: | Protein AF-10, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
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7X2E
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