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6RP2
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BU of 6rp2 by Molmil
Threonine to Cysteine (T225C) variant of E coli hydrogenase-1
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Carr, S.B, Armstrong, F.A, Zhang, L.
登録日2019-05-13
公開日2020-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020
1A2Q
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BU of 1a2q by Molmil
SUBTILISIN BPN' MUTANT 7186
分子名称: ACETONE, CALCIUM ION, SUBTILISIN BPN'
著者Gilliland, G.L, Whitlow, M, Howard, A.J.
登録日1998-01-08
公開日1998-04-29
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
5L2T
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BU of 5l2t by Molmil
The X-ray co-crystal structure of human CDK6 and Ribociclib.
分子名称: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L9H
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BU of 5l9h by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340
分子名称: 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Brown, D.G.
登録日2016-06-10
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
5LMJ
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BU of 5lmj by Molmil
Llama nanobody PorM_19
分子名称: PHOSPHATE ION, nanobody
著者Leone, P, Cambillau, C, Roussel, A.
登録日2016-08-01
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5LGE
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BU of 5lge by Molmil
Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032
分子名称: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ...
著者Hillig, R.C, Hars, U, Korndoerfer, I.P.
登録日2016-07-07
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
5LN8
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BU of 5ln8 by Molmil
Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica, in complex with galactose
分子名称: Fimbrial protein MyfA,Fimbrial protein MyfA, beta-D-galactopyranose
著者Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V.
登録日2016-08-03
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
5LND
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BU of 5lnd by Molmil
Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica
分子名称: Fimbrial protein MyfA,Fimbrial protein MyfA,Fimbrial protein MyfA
著者Pakharukova, N.A, Roy, S, Tuitilla, M, Zavialov, A.V.
登録日2016-08-04
公開日2016-08-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
5M2W
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BU of 5m2w by Molmil
Structure of nanobody nb18 raised against TssK from E. coli T6SS
分子名称: Llama nanobody nb8 against TssK from T6SS, SULFATE ION
著者Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A.
登録日2016-10-13
公開日2017-06-28
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
5M4S
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BU of 5m4s by Molmil
Transcription factor TFIIA as a single chain protein
分子名称: Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1
著者Kandiah, E, Gupta, K.
登録日2016-10-19
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
5M6Q
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BU of 5m6q by Molmil
Crystal Structure of Kutzneria albida transglutaminase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
著者Steffen, W, Benz, J, Rudolph, M.G.
登録日2016-10-25
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
5MAT
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BU of 5mat by Molmil
Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor
分子名称: (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, HEXAETHYLENE GLYCOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Moniot, S, Steegborn, C.
登録日2016-11-04
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J. Med. Chem., 60, 2017
5MBV
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BU of 5mbv by Molmil
Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD.
分子名称: Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Wilkinson, M, Chaban, Y, Wigley, D.B.
登録日2016-11-08
公開日2017-01-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
5MEN
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BU of 5men by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
5MI8
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BU of 5mi8 by Molmil
Structure of the phosphomimetic mutant of EF-Tu T383E
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
登録日2016-11-27
公開日2017-12-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
5MEP
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BU of 5mep by Molmil
Human Leukocyte Antigen A02 presenting ILGKFLHWL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
5MIR
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BU of 5mir by Molmil
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (120 min)
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P.
登録日2016-11-29
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
5MND
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BU of 5mnd by Molmil
SFX structure of Cydia pomonella granulovirus using a double flow-focusing nozzle
分子名称: Granulin
著者Oberthuer, D, Chapman, H, Doerner, K, Xavier, P.L.
登録日2016-12-13
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
5MIS
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BU of 5mis by Molmil
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (180 min)
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P.
登録日2016-11-29
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
5MEO
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BU of 5meo by Molmil
Human Leukocyte Antigen presenting ILGKFLHRL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
5MY5
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BU of 5my5 by Molmil
Tungstate binding protein - TupA - from Desulfovibrio alaskensis G20
分子名称: ABC transporter periplasmic substrate-binding protein, CHLORIDE ION, SODIUM ION
著者Otrelo-Cardoso, A.R, Correia, M.A.S.C, Santos-Silva, T.
登録日2017-01-25
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Highly selective tungstate transporter protein TupA from Desulfovibrio alaskensis G20.
Sci Rep, 7, 2017
5M8C
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BU of 5m8c by Molmil
Spliceosome component
分子名称: Pre-mRNA-processing factor 19
著者Moura, T.R, Pena, V.
登録日2016-10-28
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
5MRI
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BU of 5mri by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2016-12-23
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
分子名称: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
5MIT
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BU of 5mit by Molmil
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (240 min)
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P.
登録日2016-11-29
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017

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