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2MWP
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BU of 2mwp by Molmil
Solution structure of 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide
Descriptor: Cellular tumor antigen p53, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2014-11-15
Release date:2014-12-10
Last modified:2015-03-18
Method:SOLUTION NMR
Cite:Structural Plasticity of Methyllysine Recognition by the Tandem Tudor Domain of 53BP1.
Structure, 23, 2015
6AM5
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BU of 6am5 by Molmil
Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide SMLGIGIVPV
Descriptor: Beta-2-microglobulin, DMF5 TCR alpha chain, DMF5 TCR beta chain, ...
Authors:Riley, T.P, Baker, B.M.
Deposit date:2017-08-09
Release date:2018-08-08
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide SMLGIGIVPV
To Be Published
4XYM
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BU of 4xym by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+
Descriptor: CALCIUM ION, CHLORIDE ION, COENZYME A, ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-02
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
6ALO
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BU of 6alo by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and a peroxysuccinate intermediate
Descriptor: 4-peroxy-4-oxobutanoic acid, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2017-08-08
Release date:2017-09-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
4Y0Z
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BU of 4y0z by Molmil
Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B.
Deposit date:2015-02-06
Release date:2015-06-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
4Y0Q
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BU of 4y0q by Molmil
Bovine beta-lactoglobulin complex with pramocaine crystallized from sodium citrate (BLG-PRM1)
Descriptor: Beta-lactoglobulin, Pramocaine
Authors:Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K.
Deposit date:2015-02-06
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies.
Int.J.Biol.Macromol., 80, 2015
4Y0V
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BU of 4y0v by Molmil
Structure of an ADP ribosylation factor from Entamoeba histolytica HM-1:IMSS bound to Mg-GDP
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-02-06
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an ADP-ribosylation factor, ARF1, from Entamoeba histolytica bound to Mg(2+)-GDP.
Acta Crystallogr.,Sect.F, 71, 2015
2NB1
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BU of 2nb1 by Molmil
P63/p73 hetero-tetramerisation domain
Descriptor: Tumor protein 63, Tumor protein p73
Authors:Gebel, J, Buchner, L, Loehr, F.M, Luh, L.M, Coutandin, D, Guentert, P, Doetsch, V.
Deposit date:2016-01-19
Release date:2016-12-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization.
Cell Death Differ., 23, 2016
2MUQ
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BU of 2muq by Molmil
Solution Structure of the Human FAAP20 UBZ
Descriptor: Fanconi anemia-associated protein of 20 kDa, ZINC ION
Authors:Wojtaszek, J.L, Wang, S, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
6A16
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BU of 6a16 by Molmil
Crystal structure of CYP90B1 in complex with uniconazole
Descriptor: (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
Authors:Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
4Y31
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BU of 4y31 by Molmil
Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form
Descriptor: ACETATE ION, Protein LlR18A
Authors:Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M.
Deposit date:2015-02-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
5TOJ
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BU of 5toj by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
6A20
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BU of 6a20 by Molmil
Crystal Structure of auto-inhibited Kinesin-3 KIF13B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, Kinesin family member 13B, ...
Authors:Ren, J.Q, Wang, S, Feng, W.
Deposit date:2018-06-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5TPV
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BU of 5tpv by Molmil
X-ray structure of WlaRA (TDP-fucose-3,4-ketoisomerase) from Campylobacter jejuni
Descriptor: PHOSPHATE ION, THYMIDINE-5'-DIPHOSPHATE, WlaRA, ...
Authors:Holden, H.M, Thoden, J.B, Li, Z.A, Riegert, A.S, Goneau, M.-F, Cunningham, A.M, Vinograd, E, Schoenhofen, I.C, Gilbert, M, Li, J.
Deposit date:2016-10-21
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterization of the dTDP-Fuc3N and dTDP-Qui3N biosynthetic pathways in Campylobacter jejuni 81116.
Glycobiology, 27, 2017
4Y2Y
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BU of 4y2y by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
Descriptor: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
2MQW
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BU of 2mqw by Molmil
Solution structure of a proteasome related subunit N terminal domain
Descriptor: 26S proteasome regulatory subunit RPN9
Authors:Wu, Y, Hu, Y, Jin, C.
Deposit date:2014-06-30
Release date:2015-02-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of yeast Rpn9: insights into proteasome lid assembly.
J. Biol. Chem., 290, 2015
2MUU
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BU of 2muu by Molmil
The Proteolytic Activity of Ubiquitin-specific Protease 28 Is Modulated by the N-terminal Domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 28
Authors:Wen, Y, Shi, L, Zhang, N.
Deposit date:2014-09-17
Release date:2016-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The N-terminal ubiquitin-binding region of ubiquitin-specific protease 28 modulates its deubiquitination function: NMR structural and mechanistic insights.
Biochem.J., 471, 2015
5UHK
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BU of 5uhk by Molmil
Crystal structure of the core catalytic domain of Human O-GlcNAcase
Descriptor: GLYCEROL, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Elsen, N.L.
Deposit date:2017-01-11
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
2N0J
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BU of 2n0j by Molmil
Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostamycin complex
Descriptor: RIBOSTAMYCIN, RNA_(27-MER)
Authors:Duchardt-Ferner, E, Gottstein-Schmidtke, S.R, Weigand, J.E, Ohlenschlaeger, O.E, Wurm, J, Hammann, C, Suess, B, Woehnert, J.
Deposit date:2015-03-09
Release date:2016-02-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:What a Difference an OH Makes: Conformational Dynamics as the Basis for the Ligand Specificity of the Neomycin-Sensing Riboswitch.
Angew.Chem.Int.Ed.Engl., 55, 2016
4XLE
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BU of 4xle by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-13
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
2N2V
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BU of 2n2v by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9
Descriptor: Insulin A chain, Insulin B chain
Authors:Veverka, V, Hexnerova, R, Jiracek, J.
Deposit date:2015-05-15
Release date:2016-02-03
Method:SOLUTION NMR
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
5TXN
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BU of 5txn by Molmil
STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
Authors:Das, K, Martinez, S.M, Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
4XNH
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BU of 4xnh by Molmil
Crystal structure of yeast N-terminal acetyltransferase NatE (IP6) in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, ACYH8, CARBOXYMETHYL COENZYME *A, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-01-15
Release date:2016-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase NatE (IP6) in complex with a bisubstrate
To Be Published
4XOE
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BU of 4xoe by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside
Descriptor: CACODYLATE ION, FimG protein, FimH protein, ...
Authors:Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
2NO3
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BU of 2no3 by Molmil
Novel 4-anilinopyrimidines as potent JNK1 Inhibitors
Descriptor: 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-10-24
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007

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