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2BE7
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BU of 2be7 by Molmil
Crystal structure of the unliganded (T-state) aspartate transcarbamoylase of the psychrophilic bacterium Moritella profunda
Descriptor: Aspartate Carbamoyltransferase Catalytic Chain, Aspartate Carbamoyltransferase Regulatory Chain, SULFATE ION, ...
Authors:De Vos, D, Savvides, S.N, Van Beeumen, J.
Deposit date:2005-10-23
Release date:2006-10-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural investigation of cold activity and regulation of aspartate carbamoyltransferase from the extreme psychrophilic bacterium Moritella profunda.
J.Mol.Biol., 365, 2007
2GJK
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BU of 2gjk by Molmil
Structural and functional insights into the human Upf1 helicase core
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Regulator of nonsense transcripts 1
Authors:Cheng, Z, Muhlrad, D, Parker, R, Song, H.
Deposit date:2006-03-31
Release date:2007-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into the human Upf1 helicase core
Embo J., 26, 2007
2GOU
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BU of 2gou by Molmil
Structure of wild type, oxidized SYE1, an OYE homologue from S. oneidensis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, ...
Authors:Savvides, S.N, van den Hemel, D.
Deposit date:2006-04-14
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
2GQA
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BU of 2gqa by Molmil
Structure of NADH-reduced SYE1, an OYE homologue from S. oneidensis
Descriptor: FLAVIN MONONUCLEOTIDE, SULFATE ION, oxidoreductase, ...
Authors:Savvides, S.N, van den Hemel, D.
Deposit date:2006-04-20
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
2GUZ
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BU of 2guz by Molmil
Structure of the Tim14-Tim16 complex of the mitochondrial protein import motor
Descriptor: CITRATE ANION, Mitochondrial import inner membrane translocase subunit TIM14, Mitochondrial import inner membrane translocase subunit TIM16
Authors:Mokranjac, D, Bourenkov, G, Hell, K, Neupert, W, Groll, M.
Deposit date:2006-05-02
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of Tim14 and Tim16, the J and J-like components of the mitochondrial protein import motor.
Embo J., 25, 2006
2H16
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BU of 2h16 by Molmil
Structure of human ADP-ribosylation factor-like 5 (ARL5)
Descriptor: ADP-ribosylation factor-like protein 5A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-05-16
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human ADP-ribosylation factor-like 5 (ARL5)
To be Published
2GZO
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BU of 2gzo by Molmil
NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
Descriptor: UPF0301 protein SO3346
Authors:Singarapu, K.K, Liu, G, Eletsky, A, Xu, D, Sukumaran, D.K, Mei, J, Xiao, R, Cunningham, K, Ma, L.C, Ritu, S, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-11
Release date:2006-06-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
To be Published
2H85
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BU of 2h85 by Molmil
Crystal Structure of Nsp 15 from SARS
Descriptor: Putative orf1ab polyprotein
Authors:Ricagno, S, Egloff, M.P, Ulferts, R, Coutard, B, Nurizzo, D, Campanacci, V, Cambillau, C, Ziebuhr, J, Canard, B.
Deposit date:2006-06-06
Release date:2006-08-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure and mechanistic determinants of SARS coronavirus nonstructural protein 15 define an endoribonuclease family.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HBH
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BU of 2hbh by Molmil
Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide
Descriptor: 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z), ...
Authors:Rochel, N, Hourai, S, Moras, D.
Deposit date:2006-06-14
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol
Arch.Biochem.Biophys., 460, 2007
2HC4
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BU of 2hc4 by Molmil
Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SRC-1 from Nuclear receptor coactivator 1, Vitamin D receptor
Authors:Ciesielski, F, Rochel, N, Moras, D.
Deposit date:2006-06-15
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
2HCD
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BU of 2hcd by Molmil
Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide
Descriptor: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
Authors:Ciesielski, F, Rochel, N, Moras, D.
Deposit date:2006-06-16
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
2GMO
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BU of 2gmo by Molmil
NMR-structure of an independently folded C-terminal domain of influenza polymerase subunit PB2
Descriptor: Polymerase basic protein 2
Authors:Boudet, J, Tarendeau, F, Guilligay, D, Mas, P, Bougault, C.M, Cusack, S, Simorre, J.-P, Hart, D.J.
Deposit date:2006-04-07
Release date:2007-02-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit.
Nat.Struct.Mol.Biol., 14, 2007
2GK6
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BU of 2gk6 by Molmil
Structural and Functional insights into the human Upf1 helicase core
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Cheng, Z, Muhlrad, D, Parker, R, Song, H.
Deposit date:2006-03-31
Release date:2007-01-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into the human Upf1 helicase core
Embo J., 26, 2007
2GW8
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BU of 2gw8 by Molmil
Structure of the PII signal transduction protein of Neisseria meningitidis at 1.85 resolution
Descriptor: PII signal transduction protein
Authors:Nichols, C.E, Sainsbury, S, Berrow, N.S, Alderton, D, Stammers, D.K, Owens, R.J, Oxford Protein Production Facility (OPPF)
Deposit date:2006-05-04
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the P(II) signal transduction protein of Neisseria meningitidis at 1.85 A resolution.
Acta Crystallogr.,Sect.F, 62, 2006
2GSO
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BU of 2gso by Molmil
Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase in Complex with Vanadate
Descriptor: VANADATE ION, ZINC ION, phosphodiesterase-nucleotide pyrophosphatase
Authors:Zalatan, J.G, Fenn, T.D, Brunger, A.T, Herschlag, D.
Deposit date:2006-04-26
Release date:2006-08-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and functional comparisons of nucleotide pyrophosphatase/phosphodiesterase and alkaline phosphatase: implications for mechanism and evolution
Biochemistry, 45, 2006
2H3S
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BU of 2h3s by Molmil
cis-Azobenzene-avian pancreatic polypeptide bound to DPC micelles
Descriptor: (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone
Authors:Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D.
Deposit date:2006-05-23
Release date:2006-09-12
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide
Angew.Chem.Int.Ed.Engl., 45, 2006
2HAF
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BU of 2haf by Molmil
Crystal structure of a putative translation repressor from Vibrio cholerae
Descriptor: Putative translation repressor
Authors:Sugadev, R, Seetharaman, J, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-12
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Crystal structure of a putative translation repressor from Vibrio cholerae
To be Published
2HAM
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BU of 2ham by Molmil
Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol
Descriptor: 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2KQC
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BU of 2kqc by Molmil
Second PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2KQB
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BU of 2kqb by Molmil
First PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2M6T
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BU of 2m6t by Molmil
NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R
Descriptor: Insulin-like growth factor 2 receptor variant
Authors:Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S.
Deposit date:2013-04-09
Release date:2014-10-15
Last modified:2016-06-01
Method:SOLUTION NMR
Cite:Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
4X2G
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BU of 4x2g by Molmil
Selection of fragments for kinase inhibitor design: decoration is key
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ...
Authors:Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D.
Deposit date:2014-11-26
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
4X3C
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BU of 4x3c by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Pesaresi, A, Lamba, D.
Deposit date:2014-11-28
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
To Be Published
4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
Descriptor: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
6CY7
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BU of 6cy7 by Molmil
Human Stimulator of Interferon Genes
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ...
Authors:Fernandez, D, Li, L, Ergun, S.L.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019

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