4PSA
 
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-07 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4MHZ
 | | Crystal structure of apo-form glutaminyl cyclase from Ixodes scapularis in complex with PBD150 | | Descriptor: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl cyclase, putative | | Authors: | Huang, K.F, Hsu, H.L, Wang, A.H.J. | | Deposit date: | 2013-08-30 | | Release date: | 2014-03-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
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2APC
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1PA7
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1XMZ
 | | Crystal structure of the dark state of kindling fluorescent protein kfp from anemonia sulcata | | Descriptor: | BETA-MERCAPTOETHANOL, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | | Authors: | Quillin, M.L, Anstrom, D.M, Shu, X, O'Leary, S, Kallio, K, Chudakov, D.M, Remington, S.J. | | Deposit date: | 2004-10-04 | | Release date: | 2005-04-19 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Kindling Fluorescent Protein from Anemonia sulcata: Dark-State Structure at 1.38 Resolution
Biochemistry, 44, 2005
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4F58
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1TDV
 | | Non-specific binding to phospholipase A2:Crystal structure of the complex of PLA2 with a designed peptide Tyr-Trp-Ala-Ala-Ala-Ala at 1.7A resolution | | Descriptor: | Phospholipase A2 VRV-PL-VIIIa, SULFATE ION, YWAAAA | | Authors: | Singh, N, Jabeen, T, Ethayathulla, A.S, Somvanshi, R.K, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Singh, T.P. | | Deposit date: | 2004-05-24 | | Release date: | 2004-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Non-specific binding to phospholipase A2:Crystal structure of the complex of PLA2 with a designed peptide Tyr-Trp-Ala-Ala-Ala-Ala at 1.7A resolution
to be published
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1XZ3
 | | Complex of apoferritin with isoflurane | | Descriptor: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, CADMIUM ION, Ferritin light chain | | Authors: | Liu, R, Loll, P.J, Eckenhoff, R.G. | | Deposit date: | 2004-11-11 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for high-affinity volatile anesthetic binding in a natural 4-helix bundle protein.
Faseb J., 19, 2005
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3DZ5
 | | Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | | Deposit date: | 2008-07-29 | | Release date: | 2009-03-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
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5SXG
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | | Descriptor: | 1,3-PROPANDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IMIDAZOLE, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2016-08-09 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B.
Sci Rep, 7, 2017
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4J0R
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
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4ITG
 | | P113S mutant of E. coli Cystathionine beta-lyase MetC | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC | | Authors: | Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M. | | Deposit date: | 2013-01-18 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
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3P3V
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2RBQ
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4IMG
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4INI
 | | Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Maize, K.M, Wagner, C.R, Finzel, B.C. | | Deposit date: | 2013-01-04 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily.
Febs J., 280, 2013
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4DNO
 | | Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation adducted with the 1,2-epoxyhexane hydrolysis intermediate | | Descriptor: | (2R)-hexane-1,2-diol, Putative hydrolase | | Authors: | Bahl, C.D, Patankar, Y.R, Madden, D.R. | | Deposit date: | 2012-02-08 | | Release date: | 2013-08-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
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5T2E
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1JQ3
 | | Crystal Structure of Spermidine Synthase in Complex with Transition State Analogue AdoDATO | | Descriptor: | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE, Spermidine synthase | | Authors: | Korolev, S, Ikeguchi, Y, Skarina, T, Beasley, S, Edwards, A, Joachimiak, A, Pegg, A.E, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2001-08-03 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of spermidine synthase with a multisubstrate adduct inhibitor.
Nat.Struct.Biol., 9, 2002
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5T2F
 | | Structure of the FHA1 domain of Rad53 bound to the BRCT domain of Dbf4 | | Descriptor: | 1,2-ETHANEDIOL, DDK kinase regulatory subunit DBF4,Serine/threonine-protein kinase RAD53 chimeric protein | | Authors: | Guarne, A, Almawi, A.W, Matthews, L.A. | | Deposit date: | 2016-08-23 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | 'AND' logic gates at work: Crystal structure of Rad53 bound to Dbf4 and Cdc7.
Sci Rep, 6, 2016
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1V3Q
 | | Structure of human PNP complexed with DDI | | Descriptor: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Canduri, F, Pereira, J.H, dos Santos, D.M, Silva, R.G, Palma, M.S, Basso, L.A, de Azevedo Jr, W.F, Santos, D.S. | | Deposit date: | 2003-11-04 | | Release date: | 2004-01-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of human purine nucleoside phosphorylase complexed with inosine and ddI
Biochem.Biophys.Res.Commun., 313, 2004
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4QSP
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, N(6)-ACETYLLYSINE, ... | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-06 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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1D1P
 | | CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE | | Authors: | Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Stauffacher, C.V. | | Deposit date: | 1999-09-20 | | Release date: | 2000-03-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
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4QTU
 | | Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (SAM bound form) | | Descriptor: | 1,2-ETHANEDIOL, Multifunctional methyltransferase subunit TRM112, Putative methyltransferase BUD23, ... | | Authors: | Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J. | | Deposit date: | 2014-07-09 | | Release date: | 2014-12-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QQJ
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