3OND
 
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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6VI8
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5LKX
 | | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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5LU5
 | | A quantum half-site enzyme | | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vivoli, M, Harmer, N.J, Pang, J. | | Deposit date: | 2016-09-08 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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6VI6
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate monodentately bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5LU6
 | | Heptose isomerase mutant - H64Q | | Descriptor: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ... | | Authors: | Vivoli, M, Harmer, N.J, Pang, J. | | Deposit date: | 2016-09-08 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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5LKT
 | | Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | | Descriptor: | Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-24 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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5LKZ
 | | Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A. | | Descriptor: | CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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6VI7
 | | Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle intermediates - a substrate bidentately bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.617 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI5
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4RQI
 | | Structure of TRF2/RAP1 secondary interaction binding site | | Descriptor: | GLYCEROL, MAGNESIUM ION, Telomeric repeat-binding factor 2, ... | | Authors: | Miron, S, Guimaraes, B, Gaullier, G, Giraud-Panis, M.-J, Gilson, E, Le Du, M.-H. | | Deposit date: | 2014-11-03 | | Release date: | 2016-02-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4405 Å) | | Cite: | A higher-order entity formed by the flexible assembly of RAP1 with TRF2.
Nucleic Acids Res., 44, 2016
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2G4T
 | | anomalous substructure of porcine pancreatic elastase (Na) | | Descriptor: | Elastase-1, SODIUM ION, SULFATE ION | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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2G4U
 | | Anomalous substructure of porcine pancreatic elastaase (Ca) | | Descriptor: | CALCIUM ION, CITRATE ANION, elastase-1 | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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4BGH
 | | Crystal Structure of CDK2 in complex with pan-CDK Inhibitor | | Descriptor: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Luecking, U, Jautelat, R, Krueger, M, Brumby, T, Lienau, P, Schaefer, M, Briem, H, Schulze, J, Hillisch, A, Reichel, A, Siemeister, G. | | Deposit date: | 2013-03-26 | | Release date: | 2013-09-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer.
Chemmedchem, 8, 2013
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6FKG
 | | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
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3PC8
 | | X-ray crystal structure of the heterodimeric complex of XRCC1 and DNA ligase III-alpha BRCT domains. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA ligase 3, DNA repair protein XRCC1, ... | | Authors: | Cuneo, M.J, Krahn, J.M, London, R.E. | | Deposit date: | 2010-10-21 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
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3BX4
 | | Crystal structure of the snake venom toxin aggretin | | Descriptor: | Aggretin alpha chain, Aggretin beta chain, GLYCEROL, ... | | Authors: | Hooley, E, Papagrigoriou, E, Navdaev, A, Pandey, A, Clemetson, J.M, Clemetson, K.J, Emsley, J. | | Deposit date: | 2008-01-11 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of the platelet activator aggretin reveals a novel (alphabeta)2 dimeric structure.
Biochemistry, 47, 2008
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4PHC
 | | Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound | | Descriptor: | GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ... | | Authors: | Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.844 Å) | | Cite: | Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases.
Biochimie, 106, 2014
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4QGI
 | | X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease | | Authors: | Mahon, B.P, McKenna, R, Goldfarb, N. | | Deposit date: | 2014-05-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
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8QIX
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | Descriptor: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | Deposit date: | 2023-09-12 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7DLH
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4QEV
 | | Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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4RLQ
 | | Crystal structure of a benzoate coenzyme A ligase with o-Toluic acid | | Descriptor: | 2-methylbenzoic acid, Benzoate-coenzyme A ligase, GLYCEROL | | Authors: | Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H. | | Deposit date: | 2014-10-17 | | Release date: | 2015-09-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
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4PFM
 | | SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ... | | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A. | | Deposit date: | 2014-04-30 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.327 Å) | | Cite: | Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
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4RLF
 | | Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid | | Descriptor: | 2-methylbenzoic acid, 4-METHYLBENZOIC ACID, Benzoate-coenzyme A ligase, ... | | Authors: | Strom, S, Nosrati, M, Thornburg, C, Walker, K, Geiger, J.H. | | Deposit date: | 2014-10-16 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
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