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6XOY
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BU of 6xoy by Molmil
Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan, DIMETHYL SULFOXIDE, SN-GLYCEROL-1-PHOSPHATE, ...
Authors:Phillips, R.S.
Deposit date:2020-07-07
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Biochemistry, 60, 2021
6XSO
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BU of 6xso by Molmil
GH5-4 broad specificity endoglucanase from an uncultured bacterium
Descriptor: (2S)-2-hydroxybutanedioic acid, Cellulase, DI(HYDROXYETHYL)ETHER, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-07-15
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
5U9H
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BU of 5u9h by Molmil
DNA polymerase beta product complex with inserted Sp-isomer of dCTP-alpha-S
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(C7R))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2016-12-16
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Revealing the role of the product metal in DNA polymerase beta catalysis.
Nucleic Acids Res., 45, 2017
6YIG
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BU of 6yig by Molmil
Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1
Descriptor: CALCIUM ION, Calcium-binding EF hand family protein, SODIUM ION
Authors:Yperman, K, Merceron, R, De Munck, S, Bloch, Y, Savvides, S.N, Pleskot, R, Van Damme, D.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
5TYZ
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BU of 5tyz by Molmil
DNA Polymerase Mu Product Complex, Mn2+ (960 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2016-11-21
Release date:2017-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TWQ
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BU of 5twq by Molmil
Post-catalytic nicked complex of human Polymerase Mu with newly incorporated UTP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5TYU
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BU of 5tyu by Molmil
DNA Polymerase Mu Reactant Complex, Mn2+ (4 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2016-11-21
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
6YIA
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BU of 6yia by Molmil
14-3-3 sigma in complex with SMAD2 pS465 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIB
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BU of 6yib by Molmil
14-3-3 sigma in complex with SMAD3 pS423 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
4A7B
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BU of 4a7b by Molmil
MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, COLLAGENASE 3, ...
Authors:Hargreaves, D, Gerhardt, S.
Deposit date:2011-11-11
Release date:2011-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lead Optimisation of Selective Non-Zinc Binding Inhibitors of Mmp13. Part 2.
Bioorg.Med.Chem.Lett., 22, 2012
7NTN
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BU of 7ntn by Molmil
The structure of RRM domain of human TRMT2A at 2 A resolution
Descriptor: CHLORIDE ION, SODIUM ION, SULFATE ION, ...
Authors:Davydova, E, Janowski, R, Witzenberger, M, Niessing, D.
Deposit date:2021-03-10
Release date:2022-01-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.016 Å)
Cite:Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
Authors:Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2011-07-29
Release date:2011-08-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
5TNT
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BU of 5tnt by Molmil
Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ...
Authors:Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S.
Deposit date:2016-10-14
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3ZUX
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BU of 3zux by Molmil
Crystal structure of a bacterial homologue of the bile acid sodium symporter ASBT.
Descriptor: LAURYL DIMETHYLAMINE-N-OXIDE, MERCURY (II) ION, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Hu, N.-J, Iwata, S, Cameron, A.D, Drew, D.
Deposit date:2011-07-21
Release date:2011-10-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Bacterial Homologue of the Bile Acid Sodium Symporter Asbt.
Nature, 478, 2011
3ZE3
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BU of 3ze3 by Molmil
Crystal structure of the integral membrane diacylglycerol kinase - delta7
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ...
Authors:Li, D, Pye, V.E, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M.
Deposit date:2012-12-03
Release date:2013-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Integral Membrane Diacylglycerol Kinase.
Nature, 497, 2013
5YPD
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BU of 5ypd by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105N mutant) in complex with Methionine
Descriptor: CHLORIDE ION, COBALT (II) ION, GLYCEROL, ...
Authors:Sandeep, C.B, Addlagatta, A.
Deposit date:2017-11-01
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of a new class of type 1 methionine aminopeptidases that have relaxed substrate specificity.
Int.J.Biol.Macromol., 129, 2019
5TK0
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BU of 5tk0 by Molmil
Lysozyme structure collected with 3D printed polymer mounts
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Kilah, N.L, MacDonald, N, Bunton, G, Park, A.Y, Breadmore, M.C.
Deposit date:2016-10-06
Release date:2017-04-05
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.
Anal. Chem., 89, 2017
7NUZ
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BU of 7nuz by Molmil
Proteinase K structure at atomic resolution from crystals grown in agarose gel
Descriptor: GLYCEROL, MAGNESIUM ION, NITRATE ION, ...
Authors:Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R.
Deposit date:2021-03-15
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Crystals, 2021
6WID
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BU of 6wid by Molmil
Nucleotide incorporation intermediate into quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
Deposit date:2020-04-09
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break.
Nat Commun, 11, 2020
5TNO
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BU of 5tno by Molmil
Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, SODIUM ION, ...
Authors:Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, H, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S.
Deposit date:2016-10-14
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6WK2
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BU of 6wk2 by Molmil
SETD3 mutant (N255V) in Complex with an Actin Peptide with His73 Replaced with Methionine
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 2, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2020-04-15
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
5TJY
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BU of 5tjy by Molmil
Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Mycobacterium tuberculosis with 2,6 Pyridine Dicarboxylic Acid and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-hydroxy-tetrahydrodipicolinate reductase, ...
Authors:Mank, N, Arnette, K, Klapper, V, Chruszcz, M.
Deposit date:2016-10-05
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
6WRK
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BU of 6wrk by Molmil
Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine
Descriptor: GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ...
Authors:Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B.
Deposit date:2020-04-29
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-12-12
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018

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