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4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4WXB
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BU of 4wxb by Molmil
Crystal Structure of Serine Hydroxymethyltransferase from Streptococcus thermophilus
分子名称: CACODYLATE ION, CITRIC ACID, GLYCEROL, ...
著者Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wandtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P.
登録日2014-11-13
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
5KIP
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BU of 5kip by Molmil
Asymmetric unit for the coat proteins of phage Qbeta
分子名称: Coat protein
著者Gorzelnik, K.V, Cui, Z, Zhang, J.
登録日2016-06-16
公開日2016-10-05
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Asymmetric cryo-EM structure of the canonical Allolevivirus Q beta reveals a single maturation protein and the genomic ssRNA in situ.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KC7
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BU of 5kc7 by Molmil
Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
分子名称: Cerebellin-1
著者Elegheert, J, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (7.035 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
5KKG
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BU of 5kkg by Molmil
Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ...
著者Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
登録日2016-06-21
公開日2017-07-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
5KO5
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BU of 5ko5 by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine
分子名称: 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase
著者Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M.
登録日2016-06-29
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
6J64
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BU of 6j64 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A
分子名称: 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-14
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6VPP
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BU of 6vpp by Molmil
Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the nucleotide-free state
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ...
著者Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J.
登録日2020-02-04
公開日2020-02-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
6W0Z
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BU of 6w0z by Molmil
Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
2FQI
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BU of 2fqi by Molmil
dual binding modes of a novel series of DHODH inhibitors
分子名称: 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
著者Baumgartner, R, Leban, J.
登録日2006-01-18
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
3RPS
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BU of 3rps by Molmil
Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol
分子名称: 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Bischoff, N, Raaf, J, Olsen, B, Bretner, M, Issinger, O.-G, Niefind, K.
登録日2011-04-27
公開日2011-06-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enzymatic activity with an incomplete catalytic spine - insights from a comparative structural analysis of human CK2alpha and its paralogous isoform CK2alpha'
Mol.Cell.Biochem., 356, 2011
3J2H
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BU of 3j2h by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
分子名称: 16S rRNA
著者Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
登録日2012-09-28
公開日2013-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (18.799999 Å)
主引用文献Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process.
Nucleic Acids Res., 41, 2013
3RUV
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BU of 3ruv by Molmil
Crystal structure of Cpn-rls in complex with ATP analogue from Methanococcus maripaludis
分子名称: Chaperonin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, King, J.A, Frydman, J, Adams, P.D.
登録日2011-05-05
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.242 Å)
主引用文献Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
3J3W
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BU of 3j3w by Molmil
Atomic model of the immature 50S subunit from Bacillus subtilis (state II-a)
分子名称: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
著者Li, N, Guo, Q, Zhang, Y, Yuan, Y, Ma, C, Lei, J, Gao, N.
登録日2013-04-28
公開日2013-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (10.7 Å)
主引用文献Cryo-EM structures of the late-stage assembly intermediates of the bacterial 50S ribosomal subunit
Nucleic Acids Res., 41, 2013
3J7X
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BU of 3j7x by Molmil
Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions
分子名称: Major capsid protein 10A
著者Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W.
登録日2014-08-12
公開日2014-10-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.
Proc.Natl.Acad.Sci.USA, 111, 2014
3RUQ
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BU of 3ruq by Molmil
Crystal structure of Cpn-WT in complex with ADP from Methanococcus maripaludis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION
著者Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, Frydman, J, Adams, P.D.
登録日2011-05-05
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
3J7V
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BU of 3j7v by Molmil
Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions
分子名称: Major capsid protein 10A
著者Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W.
登録日2014-08-12
公開日2014-10-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.
Proc.Natl.Acad.Sci.USA, 111, 2014
3RUS
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BU of 3rus by Molmil
Crystal structure of Cpn-rls in complex with ADP from Methanococcus maripaludis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ...
著者Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, King, J.A, Frydman, J, Adams, P.D.
登録日2011-05-05
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.338 Å)
主引用文献Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
分子名称: 1,2-ETHANEDIOL, human CASPR2 Disc domain
著者Liu, H, Xu, F, Zhang, J, Liang, W.
登録日2017-08-04
公開日2018-08-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
分子名称: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Patel, O, Rossjohn, J.
登録日2011-05-05
公開日2011-08-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
3JZY
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BU of 3jzy by Molmil
Crystal structure of human Intersectin 2 C2 domain
分子名称: Intersectin 2, UNKNOWN ATOM OR ION
著者Shen, Y, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-09-24
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of human Intersectin 2 C2 domain
To be Published
3K21
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BU of 3k21 by Molmil
Crystal Structure of carboxy-terminus of PFC0420w.
分子名称: ACETATE ION, CALCIUM ION, Calcium-dependent protein kinase 3, ...
著者Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-09-29
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
6ISK
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BU of 6isk by Molmil
SnoaL-like cyclase XimE
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, XimE, ...
著者He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M.
登録日2018-11-16
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
2G98
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human gamma-D-crystallin
分子名称: Gamma crystallin D
著者Kmoch, S, Brynda, J, Awsav, B, Bezouska, K, Novak, P, Rezacova, P.
登録日2006-03-06
公開日2006-05-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Link between a novel human gamma-D-crystallin allele and a unique cataract phenotype explained by protein crystallography.
Hum.Mol.Genet., 12, 2000

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