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5L1I
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BU of 5l1i by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite O6-Methyl-2'-deoxyguanosine
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*C)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2016-07-29
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
4RTB
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BU of 4rtb by Molmil
X-ray structure of the FeFe-hydrogenase maturase HydG from Carboxydothermus hydrogenoformans
Descriptor: CHLORIDE ION, HydG protein, IRON/SULFUR CLUSTER, ...
Authors:Nicolet, Y, Pagnier, A, Zeppieri, L, Martin, L, Amara, P, Fontecilla-Camps, J.C.
Deposit date:2014-11-14
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of HydG from Carboxydothermus hydrogenoformans: A Trifunctional [FeFe]-Hydrogenase Maturase.
Chembiochem, 16, 2015
2AZN
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BU of 2azn by Molmil
X-RAY Structure of 2,5-diamino-6-ribosylamino-4(3h)-pyrimidinone 5-phosphate reductase
Descriptor: 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Chatwell, L, Bacher, A, Huber, R, Fischer, M, Krojer, T.
Deposit date:2005-09-12
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biosynthesis of riboflavin: structure and properties of 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase of Methanocaldococcus jannaschii
J.Mol.Biol., 359, 2006
4RTU
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BU of 4rtu by Molmil
Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
4RT6
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BU of 4rt6 by Molmil
Structure of a complex between hemopexin and hemopexin binding protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heme/hemopexin-binding protein, Hemopexin
Authors:Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P.
Deposit date:2014-11-13
Release date:2016-05-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for haem piracy from host haemopexin by Haemophilus influenzae.
Nat Commun, 7, 2016
3RFI
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BU of 3rfi by Molmil
Crystal structure of the saposin-like domain of plant aspartic protease from Solanum tuberosum
Descriptor: Asp
Authors:Bhaumik, P, Wlodawer, A.
Deposit date:2011-04-06
Release date:2011-06-15
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Mechanism of the Saposin-like Domain of a Plant Aspartic Protease.
J.Biol.Chem., 286, 2011
4RWM
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BU of 4rwm by Molmil
Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol
Descriptor: 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ...
Authors:Dietl, A, Maalcke, W, Barends, T.R.M.
Deposit date:2014-12-05
Release date:2015-08-12
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An unexpected reactivity of the P460 cofactor in hydroxylamine oxidoreductase.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4RV5
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BU of 4rv5 by Molmil
The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with pyruvic acid
Descriptor: Amino acid/amide ABC transporter substrate-binding protein, HAAT family, FORMIC ACID, ...
Authors:Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-24
Release date:2014-12-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with pyruvic acid
To be Published
3I91
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BU of 3i91 by Molmil
Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide
Descriptor: Chromobox protein homolog 8, H3K9 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-10
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
4S1N
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BU of 4s1n by Molmil
The crystal structure of phosphoribosylglycinamide formyltransferase from Streptococcus pneumoniae TIGR4
Descriptor: CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
Authors:Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-01-14
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of phosphoribosylglycinamide formyltransferase from Streptococcus pneumoniae TIGR4
To be Published
4RWN
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BU of 4rwn by Molmil
Crystal structure of the pre-reactive state of porcine OAS1
Descriptor: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
Authors:Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
5L6P
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BU of 5l6p by Molmil
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
Descriptor: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Authors:Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
5L6U
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BU of 5l6u by Molmil
S. ENTERICA HISA MUTANT - D10G, DUP13-15, Q24L, G102A
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION
Authors:Guo, X, Soderholm, A, Selmer, M.
Deposit date:2016-05-31
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4RXT
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BU of 4rxt by Molmil
Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose
Descriptor: Sugar ABC transporter, alpha-L-arabinopyranose
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541
To be Published
3R1N
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BU of 3r1n by Molmil
MK3 kinase bound to Compound 5b
Descriptor: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 3
Authors:Oubrie, A, Kazemier, B.
Deposit date:2011-03-11
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4TWB
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BU of 4twb by Molmil
Sulfolobus solfataricus ribose-phosphate pyrophosphokinase
Descriptor: ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION
Authors:Kadziola, A.
Deposit date:2014-06-30
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP.
Extremophiles, 19, 2015
5L7W
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BU of 5l7w by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-06-04
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
4TWM
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BU of 4twm by Molmil
Crystal structure of dioscorin from Dioscorea japonica
Descriptor: Dioscorin 5, SULFATE ION
Authors:Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2014-07-01
Release date:2015-04-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase
Mol Plant, 8, 2015
7LUP
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BU of 7lup by Molmil
Human TRiC/CCT complex with reovirus outer capsid protein sigma-3
Descriptor: Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
4TX0
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BU of 4tx0 by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bischoff, M, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2014-07-02
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins.
Org.Lett., 16, 2014
5L8U
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BU of 5l8u by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
Authors:Lolli, G, Marchand, J.-R, Caflisch, A.
Deposit date:2016-06-08
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
3BX4
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BU of 3bx4 by Molmil
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
7LUM
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BU of 7lum by Molmil
Human TRiC in ATP/AlFx closed state
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
5LAG
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BU of 5lag by Molmil
Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. Second data set (0.62 MGy)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C
Authors:Castellvi, A, Juanhuix, J.
Deposit date:2016-06-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Uridine as a new scavenger for synchrotron-based structural biology techniques.
J Synchrotron Radiat, 24, 2017
5LAK
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BU of 5lak by Molmil
Ligand-bound structure of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ...
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019

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