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5X98
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BU of 5x98 by Molmil
Y162F mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, MAGNESIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-05
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
4X0T
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BU of 4x0t by Molmil
Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+
Descriptor: 4-(diethylamino)benzaldehyde, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Luo, M, Tanner, J.J.
Deposit date:2014-11-23
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1.
Acs Chem.Biol., 10, 2015
4X2H
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BU of 4x2h by Molmil
Sac3N peptide bound to Mex67:Mtr2
Descriptor: Putative mRNA export protein, Putative uncharacterized protein, SER-SER-VAL-PHE-GLY-ALA-PRO-ALA
Authors:Aibara, S, Valkov, E, Stewart, M.
Deposit date:2014-11-26
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization of the Chaetomium thermophilum TREX-2 Complex and its Interaction with the mRNA Nuclear Export Factor Mex67:Mtr2.
Structure, 23, 2015
5XBH
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BU of 5xbh by Molmil
Crystal structure of R145E mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-17
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
4X32
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BU of 4x32 by Molmil
Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant.
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Standfuss, J.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
5XDB
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BU of 5xdb by Molmil
Crystal structure of FMN-bound TdsC from Paenibacillus sp. A11-2
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
Deposit date:2017-03-28
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
4X4C
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BU of 4x4c by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 6.2 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
4X5B
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BU of 4x5b by Molmil
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis in complex with PRPP and Mg
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
Authors:Cookson, T.V.M, Parker, E.J, Lott, J.S.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
5XDC
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BU of 5xdc by Molmil
Crystal structure of Indole-bound TdsC from Paenibacillus sp. A11-2
Descriptor: GLYCEROL, INDOLE, SULFATE ION, ...
Authors:Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
Deposit date:2017-03-28
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5785 Å)
Cite:Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
4X5D
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BU of 4x5d by Molmil
Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis with anthranilate bound
Descriptor: 2-AMINOBENZOIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
Authors:Cookson, T.V.M, Parker, E.J, Lott, J.S.
Deposit date:2014-12-05
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
4X97
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BU of 4x97 by Molmil
Crystal structure of Lysosomal Phospholipase A2 in complex with methyl arachidonyl fluorophosphonate (MAFP)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X95
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Crystal structure of fully glycosylated Lysosomal Phospholipase A2 in complex with methyl arachidonyl fluorophosphonate (MAFP)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Group XV phospholipase A2, METHYL ARACHIDONYL FLUOROPHOSPHONATE, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
5XHN
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BU of 5xhn by Molmil
Crystal structure of Frog M-ferritin K104E mutant
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2017-04-21
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
5XHW
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BU of 5xhw by Molmil
Crystal structure of HddC from Yersinia pseudotuberculosis
Descriptor: Putative 6-deoxy-D-mannoheptose pathway protein, SULFATE ION
Authors:Park, J, Kim, H, Kim, S, Shin, D.H.
Deposit date:2017-04-24
Release date:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of d-glycero-alpha-d-manno-heptose-1-phosphate guanylyltransferase from Yersinia pseudotuberculosis.
Biochim. Biophys. Acta, 1866, 2018
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
Descriptor: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
5XIF
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BU of 5xif by Molmil
Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii
Descriptor: CHLORIDE ION, Prolyl-tRNA synthetase (ProRS)
Authors:Jain, V, Manickam, Y, Sharma, A.
Deposit date:2017-04-26
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
4XAY
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BU of 4xay by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-16
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XBJ
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BU of 4xbj by Molmil
Y274F alanine racemase from E. coli inhibited by l-ala-p
Descriptor: Alanine racemase, biosynthetic, SULFATE ION, ...
Authors:Squire, C.J, Yosaatmadja, Y, Patrick, W.M.
Deposit date:2014-12-17
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
5XL0
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BU of 5xl0 by Molmil
met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain
Descriptor: Myoglobin, SULFATE ION, fluorinated heme
Authors:Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y.
Deposit date:2017-05-10
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
4XDP
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BU of 4xdp by Molmil
Crystal structure of human KDM4C catalytic domain bound to tris
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Swinger, K.K, Boriack-Sjodin, P.A.
Deposit date:2014-12-19
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
4XE4
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BU of 4xe4 by Molmil
Coagulation Factor XII protease domain crystal structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL
Authors:Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
Deposit date:2014-12-22
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
4XEG
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BU of 4xeg by Molmil
Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2014-12-23
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4XEZ
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BU of 4xez by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION, ...
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2469 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XGT
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BU of 4xgt by Molmil
Structure of RNA Helicase FRH a Critical Component of the Neurospora Crassa Circadian Clock
Descriptor: FRQ-interacting RNA helicase
Authors:Conrad, K.S, Crane, B.C.
Deposit date:2015-01-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock.
Embo J., 35, 2016
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017

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PDB entries from 2024-07-17

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