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5IN7
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BU of 5in7 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-07
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
4JFK
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BU of 4jfk by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
5IEP
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BU of 5iep by Molmil
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
7EZT
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BU of 7ezt by Molmil
The structure and functional mechanism of nucleotide regulated acetylhexosaminidase Am2136 from Akkermansia muciniphila
Descriptor: Beta-N-acetylhexosaminidase, MAGNESIUM ION
Authors:Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G.
Deposit date:2021-06-02
Release date:2022-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Nucleotide binding as an allosteric regulatory mechanism for Akkermansia muciniphila beta- N -acetylhexosaminidase Am2136.
Gut Microbes, 14, 2022
2OPC
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BU of 2opc by Molmil
Structure of Melampsora lini avirulence protein, AvrL567-A
Descriptor: AvrL567-A, COBALT (II) ION, IMIDAZOLE
Authors:Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Ellis, J.G, Dodds, P.N, Kobe, B.
Deposit date:2007-01-29
Release date:2007-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The use of Co2+ for crystallization and structure determination, using a conventional monochromatic X-ray source, of flax rust avirulence protein.
Acta Crystallogr.,Sect.F, 63, 2007
3FCI
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BU of 3fci by Molmil
Complex of UNG2 and a fragment-based designed inhibitor
Descriptor: 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ...
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
6T49
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BU of 6t49 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000582a.
Descriptor: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-13
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
1USN
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BU of 1usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372
Descriptor: 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE, CALCIUM ION, STROMELYSIN-1, ...
Authors:Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
5O20
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BU of 5o20 by Molmil
Structure of Nrd1 RNA binding domain in complex with RNA (UUAGUAAUCC)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein NRD1, RNA (5'-R(*UP*AP*GP*UP*AP*AP*UP*C)-3')
Authors:Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
5O2Y
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BU of 5o2y by Molmil
NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS
Descriptor: CALCIUM ION, General secretion pathway protein G
Authors:Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2017-05-23
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
3FGS
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BU of 3fgs by Molmil
Crystal structure of G65R/K206E double mutant of the N-lobe human transferrin
Descriptor: CARBONATE ION, FE (III) ION, Serotransferrin
Authors:Halbrooks, P.J, Mason, A.B, Everse, S.J.
Deposit date:2008-12-08
Release date:2009-05-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Consequences of the Substitution of Glycine 65 with Arginine in the N-Lobe of Human Transferrin.
Biochemistry, 48, 2009
7KR5
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BU of 7kr5 by Molmil
Cryo-EM structure of the CRAC channel Orai in an open conformation; H206A gain-of-function mutation in complex with an antibody
Descriptor: 19B5 Fab heavy chain, 19B5 Fab light chain, CALCIUM ION, ...
Authors:Long, S.B, Hou, X, Outhwaite, I.R.
Deposit date:2020-11-18
Release date:2020-12-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the calcium release-activated calcium channel Orai in an open conformation.
Elife, 9, 2020
3FMG
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BU of 3fmg by Molmil
Structure of rotavirus outer capsid protein VP7 trimer in complex with a neutralizing Fab
Descriptor: CALCIUM ION, Fab of neutralizing antibody 4F8, heavy chain, ...
Authors:Aoki, S.T, Settembre, E.C, Trask, S.D, Greenberg, H.B, Harrison, S.C, Dormitzer, P.R.
Deposit date:2008-12-22
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of rotavirus outer-layer protein VP7 bound with a neutralizing Fab.
Science, 324, 2009
3FP3
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BU of 3fp3 by Molmil
Crystal structure of Tom71
Descriptor: CHLORIDE ION, SULFATE ION, TPR repeat-containing protein YHR117W
Authors:Li, J, Qian, X, Hu, J, Sha, B.
Deposit date:2009-01-03
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Molecular chaperone Hsp70/Hsp90 prepares the mitochondrial outer membrane translocon receptor Tom71 for preprotein loading.
J.Biol.Chem., 284, 2009
7KX2
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BU of 7kx2 by Molmil
Spermidine N-acetyltransferase SpeG F149A mutant from Vibrio cholerae
Descriptor: Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
2LK1
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BU of 2lk1 by Molmil
Solution structure and binding studies of the RanBP2-type zinc finger of RBM5
Descriptor: 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, RNA-binding protein 5, ZINC ION
Authors:Farina, B, Pellecchia, M.
Deposit date:2011-09-30
Release date:2011-12-28
Method:SOLUTION NMR
Cite:Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5.
Chembiochem, 12, 2011
5O66
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BU of 5o66 by Molmil
Asymmetric AcrABZ-TolC
Descriptor: Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, ...
Authors:Du, D, Luisi, B.F.
Deposit date:2017-06-05
Release date:2017-06-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:An allosteric transport mechanism for the AcrAB-TolC multidrug efflux pump.
Elife, 6, 2017
2LNH
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BU of 2lnh by Molmil
Enterohaemorrhagic E. coli (EHEC) exploits a tryptophan switch to hijack host F-actin assembly
Descriptor: Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1, Neural Wiskott-Aldrich syndrome protein, Secreted effector protein EspF(U)
Authors:Aitio, O, Hellman, M, Skehan, B, Kesti, T, Leong, J.M, Saksela, K, Permi, P.
Deposit date:2011-12-28
Release date:2012-08-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Enterohaemorrhagic Escherichia coli exploits a tryptophan switch to hijack host f-actin assembly.
Structure, 20, 2012
6TRW
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BU of 6trw by Molmil
Crystal structure of DPP8 in complex with the EIL peptide (SLRFLFEGQRIADNH)
Descriptor: Dipeptidyl peptidase 8, SER-LEU-ARG-PHE-LEU-PHE-GLU-GLY-GLN-ARG, SODIUM ION
Authors:Ross, B, Huber, R.
Deposit date:2019-12-19
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
3FDD
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BU of 3fdd by Molmil
The Crystal Structure of the Pseudomonas dacunhae Aspartate-Beta-Decarboxylase Reveals a Novel Oligomeric Assembly for a Pyridoxal-5-Phosphate Dependent Enzyme
Descriptor: ACETATE ION, CHLORIDE ION, L-aspartate-beta-decarboxylase, ...
Authors:Lima, S, Sundararaju, B, Huang, C, Khristoforov, R, Momany, C, Phillips, R.S.
Deposit date:2008-11-25
Release date:2009-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of the Pseudomonas dacunhae aspartate-beta-decarboxylase dodecamer reveals an unknown oligomeric assembly for a pyridoxal-5'-phosphate-dependent enzyme.
J.Mol.Biol., 388, 2009
2LTD
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BU of 2ltd by Molmil
Solution NMR Structure of apo YdbC from Lactococcus lactis, Northeast Structural Genomics Consortium (NESG) Target KR150
Descriptor: Uncharacterized protein ydbC
Authors:Rossi, P, Barbieri, C.M, Aramini, J.M, Bini, E, Lee, H, Janjua, H, Ciccosanti, C, Wang, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-16
Release date:2012-06-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of apo- and ssDNA-bound YdbC from Lactococcus lactis uncover the function of protein domain family DUF2128 and expand the single-stranded DNA-binding domain proteome.
Nucleic Acids Res., 41, 2013
1RRY
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BU of 1rry by Molmil
DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine
Descriptor: 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase
Authors:Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
5OE7
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BU of 5oe7 by Molmil
Structure of OTULIN bound to the Met1-linked diubiquitin activity probe
Descriptor: Polyubiquitin-C, Ubiquitin thioesterase otulin
Authors:Elliott, P.R, Komander, D.
Deposit date:2017-07-07
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A Linear Diubiquitin-Based Probe for Efficient and Selective Detection of the Deubiquitinating Enzyme OTULIN.
Cell Chem Biol, 24, 2017
2L47
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BU of 2l47 by Molmil
Solution structure of the PlyG catalytic domain
Descriptor: N-acetylmuramoyl-L-alanine amidase, ZINC ION
Authors:Volkman, B.F, Dias, J.S, Peterson, F.C.
Deposit date:2010-10-01
Release date:2011-10-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Tbd
To be Published
1RAU
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BU of 1rau by Molmil
SOLUTION STRUCTURE OF AN UNUSUALLY STABLE RNA TETRAPLEX CONTAINING G-AND U-QUARTET STRUCTURES
Descriptor: RNA (5'-R(*UP*GP*GP*GP*GP*U)-3')
Authors:Cheong, C, Moore, P.B.
Deposit date:1993-07-29
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an unusually stable RNA tetraplex containing G- and U-quartet structures.
Biochemistry, 31, 1992

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