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4K0C
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BU of 4k0c by Molmil
Crystal Structure of the computationally designed serine hydrolase. Northeast Structural Genomics Consortium (NESG) Target OR317
Descriptor: designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-03
Release date:2013-04-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Northeast Structural Genomics Consortium Target OR317
To be Published
2M5Q
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BU of 2m5q by Molmil
Solution structure of lipidated glucagon analog in d-TFE
Descriptor: GAMMA-L-GLUTAMIC ACID, Glucagon, PALMITIC ACID
Authors:Ward, B.P, Ma, D.
Deposit date:2013-03-04
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Changes Associated with Peptide Lipidation Broaden Biological Function
To be Published
5HFY
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BU of 5hfy by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
Descriptor: Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-07
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
Authors:Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
Deposit date:2021-04-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
2MLE
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BU of 2mle by Molmil
NMR structure of the C-domain of troponin C bound to the anchoring region of troponin I
Descriptor: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
Authors:Robertson, I.M, Baryshnikova, O.K, Mercier, P, Sykes, B.D.
Deposit date:2014-02-26
Release date:2014-03-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.
Biochemistry, 47, 2008
4KI9
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BU of 4ki9 by Molmil
Crystal structure of the catalytic domain of human DUSP12 at 2.0 A resolution
Descriptor: Dual specificity protein phosphatase 12, PHOSPHATE ION
Authors:Jeon, T.J, Chien, P.N, Ku, B, Kim, S.J, Ryu, S.E.
Deposit date:2013-05-02
Release date:2014-02-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The family-wide structure and function of human dual-specificity protein phosphatases
Acta Crystallogr.,Sect.D, 70, 2014
6RMN
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BU of 6rmn by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-05-07
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
8UF9
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BU of 8uf9 by Molmil
EcDsbA in complex with 2-benzyl-4-phenylthiazole-5-carboxylic acid
Descriptor: 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2023-10-04
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium
To Be Published
1TLH
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BU of 1tlh by Molmil
T4 AsiA bound to sigma70 region 4
Descriptor: 10 kDa anti-sigma factor, RNA polymerase sigma factor rpoD
Authors:Lambert, L.J, Wei, Y, Schirf, V, Demeler, B, Werner, M.H.
Deposit date:2004-06-09
Release date:2004-11-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:T4 AsiA blocks DNA recognition by remodeling sigma(70) region 4
Embo J., 23, 2004
7PUK
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BU of 7puk by Molmil
Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis in complex with Man5 product
Descriptor: Beta-N-acetylhexosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.
Deposit date:2021-09-30
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
Nat Commun, 13, 2022
2MLF
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BU of 2mlf by Molmil
NMR structure of the dilated cardiomyopathy mutation G159D in troponin C bound to the anchoring region of troponin I
Descriptor: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
Authors:Baryshnikova, O.K, Robertson, I.M, Mercier, P, Sykes, B.D.
Deposit date:2014-02-26
Release date:2014-03-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.
Biochemistry, 47, 2008
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
5HJN
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BU of 5hjn by Molmil
Crystal structure of the TBC domain of Skywalker/TBC1D24 from Drosophila melanogaster
Descriptor: LD10117p, SULFATE ION
Authors:Fischer, B, Paesmans, J, Versees, W.
Deposit date:2016-01-13
Release date:2016-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Skywalker-TBC1D24 has a lipid-binding pocket mutated in epilepsy and required for synaptic function.
Nat.Struct.Mol.Biol., 23, 2016
2LUL
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BU of 2lul by Molmil
Solution NMR Structure of PH Domain of Tyrosine-protein kinase Tec from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR3504C
Descriptor: Tyrosine-protein kinase Tec, ZINC ION
Authors:Liu, G, Xiao, R, Janjua, H, Hamilton, K, Shastry, R, Kohan, E, Acton, T.B, Everett, J.K, Lee, H, Pederson, K, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-15
Release date:2012-08-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of PH Domain of Tyrosine-protein kinase Tec from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR3504C
To be Published
8F0L
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BU of 8f0l by Molmil
Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB
Descriptor: ADI-26906 Fab Heavy Chain, ADI-26906 Fab Light Chain, GLYCEROL, ...
Authors:Battles, M.B, Welin, M.
Deposit date:2022-11-03
Release date:2023-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity.
Mabs, 15, 2023
8B8O
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BU of 8b8o by Molmil
Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
Descriptor: 1,2-ETHANEDIOL, Protein E6, Protein scribble homolog
Authors:Stewart, B.Z, Kvansakul, M.
Deposit date:2022-10-04
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
To Be Published
5NCL
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BU of 5ncl by Molmil
Crystal structure of the Cbk1-Mob2 kinase-coactivator complex with an SSD1 peptide
Descriptor: CBK1 kinase activator protein MOB2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein SSD1, ...
Authors:Gogl, G, Remenyi, A, Parker, B, Weiss, E.
Deposit date:2017-03-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
Authors:Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
Deposit date:2022-09-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
5N66
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BU of 5n66 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
3C6B
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BU of 3c6b by Molmil
Reaction product of paraoxon and S-formylglutathione hydrolase W197I mutant
Descriptor: S-formylglutathione hydrolase
Authors:Legler, P.M, Millard, C.B.
Deposit date:2008-02-04
Release date:2008-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.
Biochemistry, 47, 2008
4KPJ
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BU of 4kpj by Molmil
Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
Deposit date:2013-05-13
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
6V1I
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BU of 6v1i by Molmil
Cryo-EM reconstruction of the thermophilic bacteriophage P74-26 small terminase- symmetric
Descriptor: Small terminase protein
Authors:Hayes, J.A, Hilbert, B.J, Gaubitz, C, Stone, N.P, Kelch, B.A.
Deposit date:2019-11-20
Release date:2020-02-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A thermophilic phage uses a small terminase protein with a fixed helix-turn-helix geometry.
J.Biol.Chem., 295, 2020
7EMM
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BU of 7emm by Molmil
Crystal structure of IrCp* immobilized apo-R52H-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S.
Deposit date:2021-04-14
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
8OMZ
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BU of 8omz by Molmil
Wide inward-open unliganded UraA in complex with a conformation-selective synthetic nanobody
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, ...
Authors:Kuhn, B.T, Geertsma, E.R.
Deposit date:2023-03-31
Release date:2024-04-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Interdomain-linkers control conformational transitions in the SLC23 elevator transporter UraA.
Nat Commun, 15, 2024
1TFE
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BU of 1tfe by Molmil
DIMERIZATION DOMAIN OF EF-TS FROM T. THERMOPHILUS
Descriptor: ELONGATION FACTOR TS
Authors:Jiang, Y, Nock, S, Nesper, M, Sprinzl, M, Sigler, P.B.
Deposit date:1996-04-16
Release date:1996-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and importance of the dimerization domain in elongation factor Ts from Thermus thermophilus.
Biochemistry, 35, 1996

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