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5Z8R
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BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
4YOO
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BU of 4yoo by Molmil
p107 pocket domain in complex with LIN52 P29A peptide
分子名称: LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION
著者Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
登録日2015-03-12
公開日2015-05-13
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
4YP0
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BU of 4yp0 by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-12
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5ZEH
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BU of 5zeh by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with L- Ornithine at 2.35 A
分子名称: 1,2-ETHANEDIOL, Arginase, L-ornithine, ...
著者Malik, A, Dalal, V, Ankri, S, Tomar, S.
登録日2018-02-27
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
4YAT
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BU of 4yat by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b)
分子名称: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YB8
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BU of 4yb8 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-18
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YC6
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BU of 4yc6 by Molmil
CDK1/CKS1
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-19
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
分子名称: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
登録日2015-02-21
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
5ZMI
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BU of 5zmi by Molmil
Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine.
分子名称: ADENINE, Adenine phosphoribosyltransferase, SODIUM ION
著者Pavithra, G.C, Fox, G.C, Ramagopal, U.A.
登録日2018-04-03
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis
To be published
5ZIC
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BU of 5zic by Molmil
Crystal structure of human GnT-V luminal domain in complex with acceptor sugar
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-6-thio-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
著者Nagae, M, Yamaguchi, Y.
登録日2018-03-14
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V.
Nat Commun, 9, 2018
5YUM
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BU of 5yum by Molmil
Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs
分子名称: Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE
著者Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
登録日2017-11-22
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
4YLM
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BU of 4ylm by Molmil
Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway
分子名称: GLYCEROL, Pyoverdine biosynthesis protein PvcB
著者Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A.
登録日2015-03-05
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products.
Biochemistry, 54, 2015
4YLT
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BU of 4ylt by Molmil
Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Yersinia pestis
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Nanson, J.D, Forwood, J.K.
登録日2015-03-05
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterisation of the Beta-Ketoacyl-Acyl Carrier Protein Synthases, FabF and FabH, of Yersinia pestis.
Sci Rep, 5, 2015
4YM1
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BU of 4ym1 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose
分子名称: Galectin-4, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Bum-Erdene, K, Blanchard, H.
登録日2015-03-06
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
5ZB0
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BU of 5zb0 by Molmil
Crystal structure of thymidylate kinase in complex with ADP and TDP from thermus thermophilus HB8
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
登録日2018-02-09
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
5ZBU
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BU of 5zbu by Molmil
Crystal Structure of PA-TM-RING E3 ligase RNF13 RING domain in complex with E2~Ub
分子名称: E3 ubiquitin-protein ligase RNF13, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2, ...
著者Datta, A.B, Sarkar, S.
登録日2018-02-12
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of PA-TM-RING E3 ligase RNF13 RING domain in complex with E2~Ub
To Be Published
4YPQ
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BU of 4ypq by Molmil
Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma
著者Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L.
登録日2015-03-13
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
4Z3P
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BU of 4z3p by Molmil
MATE transporter ClbM in complex with Rb+
分子名称: CACODYLATE ION, Putative drug/sodium antiporter, RUBIDIUM ION
著者Mousa, J.J, Bruner, S.D.
登録日2015-03-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
4Z47
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BU of 4z47 by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GU mismatch in the presence of excess base
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA, ...
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-04-01
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
5ZJN
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BU of 5zjn by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetylmannosamine-6-phosphate, ...
著者Manjunath, L, Guntupalli, S.
登録日2018-03-21
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
分子名称: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Joshi, A, Bayliss, R.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4Z4L
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BU of 4z4l by Molmil
Crystal Structure of cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus DSM 8903
分子名称: 1,2-ETHANEDIOL, Cellobiose 2-epimerase
著者Shen, Q.Y, Zhang, Y.Z.
登録日2015-04-02
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献Crystal Structure of cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus DSM 8903
to be published
4YXA
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Complex of SpaO(SPOA1,2 SeMet) and OrgB(APAR)::T4lysozyme fusion protein
分子名称: Oxygen-regulated invasion protein OrgB,Endolysin, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
4YXT
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PksG, a HMG-CoA Synthase from Bacillus subtilus
分子名称: Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG
著者Till, M, Nair, A.V, Robson, A, Race, P.R.
登録日2015-03-23
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PksG, a HMG-CoA Synthase from Bacillus subtilus
To Be Published

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件を2024-07-17に公開中

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