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5HID
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BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
3LLF
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Crystal structure of the mutant S127P of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
分子名称: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
登録日2010-01-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
5HFY
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Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
分子名称: Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5HG2
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Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
6UEO
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Structure of A. thaliana TBP-AC mismatch DNA site
分子名称: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
著者Schumacher, M.A.
登録日2019-09-22
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
3LVW
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BU of 3lvw by Molmil
Glutathione-inhibited ScGCL
分子名称: GLUTATHIONE, Glutamate--cysteine ligase, TRIETHYLENE GLYCOL
著者Biterova, E.I, Barycki, J.J.
登録日2010-02-22
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for feedback and pharmacological inhibition of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 285, 2010
5HIO
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Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
6UMK
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Structure of E. coli FtsZ(L178E)-GDP complex
分子名称: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Schumacher, M.A.
登録日2019-10-09
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP.
Acta Crystallogr.,Sect.F, 76, 2020
5HJ1
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Crystal structure of PDZ domain of pullulanase C protein of type II secretion system from Klebsiella pneumoniae in complex with fatty acid
分子名称: Pullulanase C protein, VACCENIC ACID
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-12
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of PDZ domain of pullulanase C protein of type II secretion system from Klebsiella pneumoniae in complex with fatty acid
To Be Published
3LM0
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BU of 3lm0 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ...
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献

5HG8
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EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HJB
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AF9 YEATS in complex with histone H3 Crotonylation at K9
分子名称: Protein AF-9, peptide of Histone H3.1
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-12
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
3LX7
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BU of 3lx7 by Molmil
Crystal structure of a Novel Tudor domain-containing protein SGF29
分子名称: SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION
著者Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J.
登録日2010-02-24
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
5HGG
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BU of 5hgg by Molmil
Crystal structure of uPA in complex with a camelid-derived antibody fragment
分子名称: (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ...
著者Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K.
登録日2016-01-08
公開日2016-06-01
最終更新日2016-08-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
3LXI
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Crystal Structure of Camphor-Bound CYP101D1
分子名称: CAMPHOR, Cytochrome P450, PHOSPHATE ION, ...
著者Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-02-25
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
5HJD
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AF9 YEATS in complex with histone H3 Crotonylation at K18
分子名称: COPPER (II) ION, Protein AF-9, SULFATE ION, ...
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-13
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain.
Mol.Cell, 62, 2016
3L5M
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Xenobiotic reductase A - coumarin bound
分子名称: (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ...
著者Spiegelhauer, O, Dobbek, H.
登録日2009-12-22
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study
J.Mol.Biol., 398, 2010
3LM9
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Crystal structure of fructokinase with ADP and Fructose bound in the active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ZINC ION, ...
著者Nocek, B, Stein, A, Cuff, M, Volkart, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-01-29
公開日2010-03-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
J.Mol.Biol., 406, 2011
5HH1
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Crystal structure of human Naa60 mutant - F34A in complex with CoA
分子名称: COENZYME A, N-alpha-acetyltransferase 60
著者Chen, J.Y, Liu, L, Yun, C.H.
登録日2016-01-09
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
5HJZ
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Structure of M. tuberculosis MazF-mt1 (Rv2801c) in complex with RNA
分子名称: Endoribonuclease MazF9, RNA (5'-R(*CP*AP*UP*C)-D(P*U)-R(P*AP*CP*CP*UP*GP*A)-3')
著者Yen, T.J, Brennan, R.G.
登録日2016-01-13
公開日2017-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献Structure of M. tuberculosis MazF-mt1 (Rv2801c) in complex with RNA
To Be Published
5HH6
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Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
分子名称: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
5HK3
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Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with DNA
分子名称: DNA (5'-D(*AP*GP*UP*CP*UP*CP*CP*UP*UP*UP*C)-3'), Endoribonuclease MazF6
著者Yen, T.J, Brennan, R.G.
登録日2016-01-13
公開日2017-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with DNA
To Be Published
5HK5
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Structure of the Grem2-GDF5 Inhibitory Complex
分子名称: Gremlin-2, Growth/differentiation factor 5
著者Nolan, K, Thompson, T.B, Read, R.J.
登録日2016-01-13
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Gremlin-2 in Complex with GDF5 Gives Insight into DAN-Family-Mediated BMP Antagonism.
Cell Rep, 16, 2016
5HHF
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Crystal structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant H63A with covalent FAD-Galactopyranose and bound UDP
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, MESO-ERYTHRITOL, SULFATE ION, ...
著者Tanner, J.J.
登録日2016-01-10
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In Crystallo Capture of a Covalent Intermediate in the UDP-Galactopyranose Mutase Reaction.
Biochemistry, 55, 2016
5HKC
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Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with 8-mer RNA
分子名称: Endoribonuclease MazF6, RNA (5'-R(*GP*UP*C)-D(P*U)-R(P*CP*CP*UP*A)-3')
著者Yen, T.J, Brennan, R.G.
登録日2016-01-14
公開日2017-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with 8-mer RNA
To Be Published

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