3EHH
 
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4QSX
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, ATPase family AAA domain-containing protein 2, ... | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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2HNT
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4QU9
 | | Caspase-3 F128A | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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6VZ4
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1TGM
 | | Crystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution | | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, CALCIUM ION, Phospholipase A2, ... | | Authors: | Singh, N, Jabeen, T, Sharma, S, Bhushan, A, Singh, T.P. | | Deposit date: | 2004-05-28 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution
To be Published
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6VZP
 | | HBV wild type capsid | | Descriptor: | Capsid protein | | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-09-30 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
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7TAP
 | | Cryo-EM structure of archazolid A bound to yeast VO V-ATPase | | Descriptor: | Archazolid A, V-type proton ATPase subunit a, vacuolar isoform, ... | | Authors: | Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors.
Acs Chem.Biol., 17, 2022
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2W2F
 | | CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM | | Descriptor: | BARIUM ION, P-COUMARIC ACID DECARBOXYLASE | | Authors: | Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | | Deposit date: | 2008-10-29 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78, 2010
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1TE2
 | | Putative Phosphatase Ynic from Escherichia coli K12 | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 2-deoxyglucose-6-P phosphatase, CALCIUM ION | | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-24 | | Release date: | 2004-08-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of Putative Phosphatase Ynic from Escherichia coli K12
To be Published
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4QUR
 | | Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation | | Descriptor: | 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ... | | Authors: | Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M. | | Deposit date: | 2014-07-11 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
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5K71
 | | apo Dbr1 | | Descriptor: | RNA lariat debranching enzyme, putative, SULFATE ION | | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-05-25 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
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7AZR
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5KBQ
 | | Pak1 in complex with bis-anilino pyrimidine inhibitor | | Descriptor: | Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
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4R5Z
 | | Crystal structure of Rv3772 encoded aminotransferase | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Nasir, N, Anant, A, Vyas, R, Biswal, B.K. | | Deposit date: | 2014-08-22 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities
Sci Rep, 6, 2016
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7AZQ
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5KCH
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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1JTS
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3ZJ7
 | | Crystal structure of strictosidine glucosidase in complex with inhibitor-1 | | Descriptor: | (1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE | | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | Deposit date: | 2013-01-17 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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6IP3
 | | Structure of human telomeric DNA at 1.4 Angstroms resolution | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | | Authors: | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
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1K02
 | | Crystal Structure of Old Yellow Enzyme Mutant Gln114Asn | | Descriptor: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH DEHYDROGENASE 1 | | Authors: | Brown, B.J, Hyun, J, Duvvuri, S.D, Karplus, P.A, Massey, V. | | Deposit date: | 2001-09-18 | | Release date: | 2001-09-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of glutamine 114 in old yellow enzyme
J.Biol.Chem., 277, 2002
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7SV9
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7T00
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7SVX
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3E3Y
 | | Q138F HincII bound to GTTAAC and cocrystallized with 5 mM Ca2+ | | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DTP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ... | | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
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