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5OFV
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid
分子名称: 5-fluoranyl-2-methyl-benzoic acid, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
4UN8
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BU of 4un8 by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 1H INCUBATION IN 5MM MN (STATE 2)
分子名称: 25MER, HOMING ENDONUCLEASE I-DMOI, MANGANESE (II) ION
著者Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
登録日2014-05-26
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
4WB5
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BU of 4wb5 by Molmil
Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ...
著者Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
登録日2014-09-02
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
6PC6
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BU of 6pc6 by Molmil
E. coli 50S ribosome bound to compound 47
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
5OG6
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Cu nitrite reductase serial data at varying temperatures RT 0.24MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5O1S
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BU of 5o1s by Molmil
Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases
分子名称: Dimethyl fumarate, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Andersen, J.L, Nissen, P.
登録日2017-05-19
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases.
Nat Commun, 9, 2018
5OGK
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Crystal structure of a nucleotide sugar transporter with bound nucleotide sugar.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GDP-mannose transporter 1, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE
著者Newstead, S, Parker, J.L.
登録日2017-07-13
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis of nucleotide sugar transport across the Golgi membrane.
Nature, 551, 2017
5O2B
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Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SODIUM ION, Serine/threonine-protein kinase WNK3
著者Pinkas, D.M, Bufton, J.C, Newman, J.A, Borkowska, O, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2017-05-19
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
To Be Published
4WCG
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BU of 4wcg by Molmil
The binding mode of Cyprinid Herpesvirus3 ORF112-Zalpha to Z-DNA
分子名称: DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), ORF112, SULFATE ION
著者Kus, K, Athanasiadis, A.
登録日2014-09-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of the Cyprinid herpesvirus 3 ORF112-Z alpha Z-DNA Complex Reveals a Mechanism of Nucleic Acids Recognition Conserved with E3L, a Poxvirus Inhibitor of Interferon Response.
J.Biol.Chem., 290, 2015
4ZXQ
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BU of 4zxq by Molmil
P22 Tail Needle Gp26 1-140 crystallized at pH 3.9
分子名称: CALCIUM ION, CHLORIDE ION, Tail needle protein gp26
著者Sankhala, R.S, Cingolani, G.
登録日2015-05-20
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Plasticity of the Protein Plug That Traps Newly Packaged Genomes in Podoviridae Virions.
J.Biol.Chem., 291, 2016
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
分子名称: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5O2K
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Native apo-structure of Pseudomonas stutzeri PtxB to 2.1 A resolution
分子名称: Probable phosphite transport system-binding protein PtxB
著者Bisson, C, Hitchcock, A.
登録日2017-05-21
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5OH8
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BU of 5oh8 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Rolipram
分子名称: Cereblon isoform 4, ROLIPRAM, ZINC ION
著者Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
登録日2017-07-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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
分子名称: CALCIUM ION, General secretion pathway protein G
著者Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
登録日2017-05-23
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
5O3A
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BU of 5o3a by Molmil
Human Brd2(BD2) mutant in complex with ET
分子名称: Bromodomain-containing protein 2, methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3E
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BU of 5o3e by Molmil
Human Brd2(BD2) mutant in complex with Me-Am1
分子名称: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
4UIK
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BU of 4uik by Molmil
crystal structure of quinine-dependent Fab 314.1
分子名称: FAB 314.1
著者Zhu, J, Zhu, J, Bougie, D.W, Aster, R.H, Springer, T.A.
登録日2015-03-30
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Quinine-Dependent Antibody Binding to Platelet Integrin Alphaiib Beta3
Blood, 126, 2015
5O3K
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BU of 5o3k by Molmil
Crystal Structure of mutant M54L/M64L/M96L of Two-Domain Laccase from Streptomyces griseoflavus with 1 mM copper sulfate on growth medium
分子名称: COPPER (II) ION, GLYCEROL, OXYGEN ATOM, ...
著者Gabdulkhakov, A.G, Tishchenko, T.V.
登録日2017-05-24
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Incorporation of Copper Ions into T2/T3 Centers of Two-Domain Laccases.
Mol.Biol.(Moscow), 52, 2018
4UJB
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BU of 4ujb by Molmil
Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
5W95
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BU of 5w95 by Molmil
Mtb Rv3802c with PEG bound
分子名称: Conserved membrane protein of uncharacterised function, PENTAETHYLENE GLYCOL
著者Goins, C.M, Schreidah, C.M, Ronning, D.R.
登録日2017-06-22
公開日2017-12-27
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Structural basis for lipid binding and mechanism of the Mycobacterium tuberculosis Rv3802 phospholipase.
J. Biol. Chem., 293, 2018
2BSW
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BU of 2bsw by Molmil
Crystal structure of a glyphosate-N-acetyltransferase obtained by DNA shuffling.
分子名称: GLYCEROL, GLYPHOSATE N-ACETYLTRANSFERASE, OXIDIZED COENZYME A, ...
著者Keenan, R.J, Siehl, D.L, Gorton, R, Castle, L.A.
登録日2005-05-24
公開日2005-06-08
最終更新日2015-10-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献DNA Shuffling as a Tool for Protein Crystallization.
Proc.Natl.Acad.Sci.USA, 102, 2005
4ZVD
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BU of 4zvd by Molmil
Crystal structure of MID domain of the E. coli DosC - form II
分子名称: Diguanylate cyclase DosC
著者Tarnawski, M, Barends, T.R.M, Schlichting, I.
登録日2015-05-18
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
5WTJ
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BU of 5wtj by Molmil
Crystal structure of an endonuclease
分子名称: CRISPR-associated endoribonuclease C2c2
著者Liu, L, Wang, Y.
登録日2016-12-13
公開日2017-02-08
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
5O5L
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X-ray structure of a bacterial adenylyl cyclase soluble domain, solved at cryogenic temperature
分子名称: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, MANGANESE (II) ION, ...
著者Vercellino, I, Korkhov, V.M.
登録日2017-06-02
公開日2017-11-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Role of the nucleotidyl cyclase helical domain in catalytically active dimer formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5A1W
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The structure of the COPI coat linkage II
分子名称: ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ...
著者Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G.
登録日2015-05-06
公開日2015-07-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (18 Å)
主引用文献Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly.
Science, 349, 2015

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