2VAC
 
 | | Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2 | | Descriptor: | 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION | | Authors: | Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-08-30 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2
To be Published
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6BC9
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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6BEL
 | | Ternary complex crystal structure of DNA polymerase Beta with R-isomer of beta-gamma-CHF-dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2017-10-25 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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5EL0
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6BQ8
 | | Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ... | | Authors: | Kim, C, Kovalevsky, A, Gerlits, O. | | Deposit date: | 2017-11-27 | | Release date: | 2018-03-21 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
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6ATN
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2UZJ
 | | Crystal structure of the mature streptococcal cysteine protease, mSpeB | | Descriptor: | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, STREPTOPAIN | | Authors: | Olsen, J.G, Dagil, R, Niclasen, L.M, Soerensen, O.E, Kragelund, B.B. | | Deposit date: | 2008-09-16 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the Mature Streptococcal Cysteine Protease Exotoxin Mspeb in its Active Dimeric Form.
J.Mol.Biol., 393, 2009
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4Z82
 | | Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | | Deposit date: | 2015-04-08 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
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5E2U
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5FDY
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2UXG
 | | Pseudoazurin with engineered amicyanin ligand loop, reduced form, pH 5.5 | | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A. | | Deposit date: | 2007-03-28 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
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2V3O
 | | Thrombin with 3-cycle with F | | Descriptor: | (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID, CALCIUM ION, HIRUDIN IIA, ... | | Authors: | Banner, D.W, Wessel, H.P. | | Deposit date: | 2007-06-19 | | Release date: | 2008-06-24 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
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2V3H
 | | Thrombin with 3-cycle no F | | Descriptor: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID, CALCIUM ION, HIRUDIN IIA, ... | | Authors: | Banner, D.W, Obst, U. | | Deposit date: | 2007-06-18 | | Release date: | 2008-06-24 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
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5CCD
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6CR4
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5FDH
 | | CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
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5FGW
 | | Structure of Sda1 nuclease with bound zinc ion | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | | Deposit date: | 2015-12-21 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes.
Nucleic Acids Res., 44, 2016
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2W8S
 | | CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli | | Descriptor: | FE (III) ION, GLYCEROL, PHOSPHONATE MONOESTER HYDROLASE, ... | | Authors: | Jonas, S, van Loo, B, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2009-01-19 | | Release date: | 2010-02-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Efficient, Multiply Promiscuous Hydrolase in the Alkaline Phosphatase Superfamily.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6C73
 | | Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site.
To be Published
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6CME
 | | Structure of wild-type ISL2-LID in complex with LHX4-LIM1+2 | | Descriptor: | LIM/homeobox protein Lhx4,Insulin gene enhancer protein ISL-2, ZINC ION | | Authors: | Stokes, P.H, Silva, A, Guss, J.M, Matthews, J.M. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Mutation in a flexible linker modulates binding affinity for modular complexes.
Proteins, 87, 2019
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5ESP
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2WEY
 | | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | | Deposit date: | 2009-04-02 | | Release date: | 2009-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
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5GIM
 | | Crystal structure of thrombin-avathrin complex | | Descriptor: | C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ... | | Authors: | Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K. | | Deposit date: | 2016-06-24 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
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5E2T
 | | Crystal structure of anti-TAU antibody AT8 FAB | | Descriptor: | AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, CALCIUM ION | | Authors: | Malia, T, Teplyakov, A. | | Deposit date: | 2015-10-01 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
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6BEM
 | | Ternary complex crystal structure of DNA polymerase Beta with S-isomer of beta-gamma-CHCL-dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2017-10-25 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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