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3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-25
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3HAO
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BU of 3hao by Molmil
Crystal structure of bacteriorhodopsin mutant L94A crystallized from bicelles
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Joh, N.H, Yang, D, Bowie, J.U.
Deposit date:2009-05-02
Release date:2009-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
6UCU
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BU of 6ucu by Molmil
Cryo-EM structure of the mitochondrial TOM complex from yeast (dimer)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Park, E, Tucker, K.
Deposit date:2019-09-17
Release date:2019-11-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution.
Nat.Struct.Mol.Biol., 26, 2019
6UC0
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BU of 6uc0 by Molmil
Isolated S3D-cofilin bound to an actin filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-09-13
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6O4O
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BU of 6o4o by Molmil
The structure of human interleukin 11
Descriptor: CHLORIDE ION, Interleukin-11, SULFATE ION
Authors:Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2019-02-28
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
3GKE
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BU of 3gke by Molmil
Crystal Structure of Dicamba Monooxygenase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DdmC, ...
Authors:Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P.
Deposit date:2009-03-10
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
J.Mol.Biol., 392, 2009
6O4U
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BU of 6o4u by Molmil
Co-crystal structure of Mcl1 with inhibitor
Descriptor: (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Restriction Toward the Discovery of Macrocyclic MCL1 Inhibitors that Display Efficacy in Mouse Xenograft Models
To Be Published
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
Descriptor: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
3UJK
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BU of 3ujk by Molmil
Crystal structure of protein phosphatase ABI2
Descriptor: MAGNESIUM ION, Protein phosphatase 2C 77
Authors:Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3T2O
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BU of 3t2o by Molmil
E. coli (lacZ) beta-galactosidase (S796D)
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
3MPI
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BU of 3mpi by Molmil
Structure of the glutaryl-coenzyme A dehydrogenase glutaryl-CoA complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, glutaryl-coenzyme A
Authors:Wischgoll, S, Warkentin, E, Boll, M, Ermler, U.
Deposit date:2010-04-27
Release date:2010-08-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for promoting and preventing decarboxylation in glutaryl-coenzyme a dehydrogenases.
Biochemistry, 49, 2010
6O84
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BU of 6o84 by Molmil
Cryo-EM structure of OTOP3 from xenopus tropicalis
Descriptor: LOC100127796 protein,LOC100127796 protein,OTOP3,LOC100127796 protein,LOC100127796 protein
Authors:Chen, Q.F, Bai, X.C, Jiang, Y.X.
Deposit date:2019-03-08
Release date:2019-04-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural and functional characterization of an otopetrin family proton channel.
Elife, 8, 2019
3GNP
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BU of 3gnp by Molmil
Crystal Structure of a Rice Os3BGlu6 Beta-Glucosidase with Octyl-Beta-D-Thio-Glucoside
Descriptor: GLYCEROL, Os03g0212800 protein, octyl 1-thio-beta-D-glucopyranoside
Authors:Seshadri, S, Akiyama, T, Opassiri, R, Kuaprasert, B, Cairns, J.R.K.
Deposit date:2009-03-17
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and enzymatic characterization of Os3BGlu6, a rice {beta}-glucosidase hydrolyzing hydrophobic glycosides and (1->3)- and (1->2)-linked disaccharides.
Plant Physiol., 2009
6TXS
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BU of 6txs by Molmil
The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide
Descriptor: CD44 antigen, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
3MQP
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BU of 3mqp by Molmil
Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930
Descriptor: Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1
Authors:Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide
To be Published
6OE3
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BU of 6oe3 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Kudalkar, S.N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV.
Antiviral Res., 167, 2019
3UOV
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BU of 3uov by Molmil
Crystal Structure of OTEMO (FAD bound form 1)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, OTEMO
Authors:Shi, R, Matte, A, Cygler, M, Lau, P.
Deposit date:2011-11-17
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
3UP5
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BU of 3up5 by Molmil
Crystal Structure of OTEMO complex with FAD and NADP (form 4)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO
Authors:Shi, R, Matte, A, Cygler, M, Lau, P.
Deposit date:2011-11-17
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
4BPD
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BU of 4bpd by Molmil
Structure determination of an integral membrane kinase
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, DIACYLGLYCEROL KINASE, ZINC ION
Authors:Li, D, Boland, C, Caffrey, M.
Deposit date:2013-05-24
Release date:2014-05-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Cell-Free Expression and in Meso Crystallisation of an Integral Membrane Kinase for Structure Determination.
Cell.Mol.Life Sci., 71, 2014
6OFX
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BU of 6ofx by Molmil
Non-rotated ribosome (Structure I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Demo, G, Loveland, A.B, Xu, C, Korostelev, A.A.
Deposit date:2019-04-01
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Extensive ribosome and RF2 rearrangements during translation termination.
Elife, 8, 2019
3UTN
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BU of 3utn by Molmil
Crystal structure of Tum1 protein from Saccharomyces cerevisiae
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1
Authors:Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W.
Deposit date:2011-11-26
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae.
Protein Pept.Lett., 19, 2012
6OHT
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BU of 6oht by Molmil
Structure of EBP and U18666A
Descriptor: 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase, 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one
Authors:Long, T, Li, X.
Deposit date:2019-04-06
Release date:2019-06-19
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for human sterol isomerase in cholesterol biosynthesis and multidrug recognition.
Nat Commun, 10, 2019
3T8B
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BU of 3t8b by Molmil
Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly
Descriptor: 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL
Authors:Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P.
Deposit date:2011-08-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member.
Biochemistry, 50, 2011
6OIN
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BU of 6oin by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
Descriptor: 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019

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