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4RW3
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BU of 4rw3 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
分子名称: D-MYO-INOSITOL-1-PHOSPHATE, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
登録日2014-12-01
公開日2015-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
8PU6
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BU of 8pu6 by Molmil
Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: pooled class
分子名称: Gag protein (Fragment)
著者Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
登録日2023-07-17
公開日2023-08-23
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 32, 2025
8PU9
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BU of 8pu9 by Molmil
Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: axis angle -10 degrees
分子名称: Gag protein (Fragment)
著者Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
登録日2023-07-17
公開日2023-08-23
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 32, 2025
8PUC
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BU of 8puc by Molmil
Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: axis angle 05 degrees
分子名称: Gag protein (Fragment)
著者Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
登録日2023-07-17
公開日2023-08-23
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 32, 2025
8IYT
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BU of 8iyt by Molmil
Crystal Structure of Serine Palmitoyltransferase complexed with D-methylserine
分子名称: (2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Serine palmitoyltransferase
著者Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
登録日2023-04-06
公開日2024-04-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Racemization of the substrate and product by serine palmitoyltransferase from Sphingobacterium multivorum yields two enantiomers of the product from d-serine.
J.Biol.Chem., 300, 2024
5NHK
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BU of 5nhk by Molmil
Structure of Ferric uptake regulator from francisella tularensis with Iron
分子名称: FE (III) ION, Ferric uptake regulation protein, ZINC ION
著者Perard, J, Arnaud, L, Carpentier, P, Michaud-Soret, I, Cavazza, C.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
5H84
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BU of 5h84 by Molmil
Human Gcn5 bound to propionyl-CoA
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ...
著者Wolberger, C, Ringel, A.E.
登録日2015-12-23
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for acyl-group discrimination by human Gcn5L2.
Acta Crystallogr D Struct Biol, 72, 2016
7NE2
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BU of 7ne2 by Molmil
Crystal structure of class I SFP aldolase YihT from Salmonella enterica with SFP/ DHAP (Schiff base complex with active site Lys193)
分子名称: (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid, Sulfofructosephosphate aldolase, [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
著者Sharma, M, Davies, G.J.
登録日2021-02-03
公開日2021-04-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
9EVN
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BU of 9evn by Molmil
Plasmodium falciparum apical membrane antigen FVO
分子名称: Apical membrane antigen 1, CHLORIDE ION
著者Bentley, G.A, Saul, F.A, Vulliez-Le Normand, B.
登録日2024-03-31
公開日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational variability in the D2 loop of Plasmodium Apical Membrane antigen 1.
J Struct Biol X, 10, 2024
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
分子名称: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
著者Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
登録日2014-06-23
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
6WRR
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BU of 6wrr by Molmil
CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AND LITHIUM AT 2.5 ANGSTROM RESOLUTION
分子名称: GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION
著者Dollins, D.R, Endo-Streeter, S, York, J.D.
登録日2020-04-30
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
6WQP
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BU of 6wqp by Molmil
GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Endoglucanase, ...
著者Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
登録日2020-04-29
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
8SCW
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BU of 8scw by Molmil
Crystal structure of IRAK4-HSA complexed with BMS-986147; 6-{5-CYANO-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL}-N-[(2R)-2-FLUORROXY-3-METHYLBUTYL]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE
分子名称: (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Muckelbauer, J.K, Ghosh, K.
登録日2023-04-05
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases
To Be Published
2VUQ
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BU of 2vuq by Molmil
Crystal structure of a human tRNAGly acceptor stem microhelix (derived from the gene sequence DG9990) at 1.18 Angstroem resolution
分子名称: 5'-R(*CP*CP*AP*AP*UP*GP*CP)-3', 5'-R(*GP*CP*AP*UP*UP*GP*GP)-3'
著者Eichert, A, Perbandt, M, Schreiber, A, Fuerste, J.P, Betzel, C, Erdmann, V.A, Foerster, C.
登録日2008-05-29
公開日2009-03-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal Structure of the Human Trnagly Microhelix Isoacceptor G9990 at 1.18 A Resolution
Biochem.Biophys.Res.Commun., 380, 2009
8PH5
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BU of 8ph5 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition B
分子名称: 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C
著者Teran, A, Ferraro, G, Merlino, A.
登録日2023-06-19
公開日2023-09-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8PX2
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BU of 8px2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
9I7A
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BU of 9i7a by Molmil
Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P1 type 1
分子名称: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2
著者Vantieghem, T, Osipov, E.M, Strelkov, S.V.
登録日2025-01-31
公開日2025-08-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening.
Acta Crystallogr.,Sect.F, 81, 2025
5KZA
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BU of 5kza by Molmil
Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I41
分子名称: 1,2-ETHANEDIOL, NITRATE ION, virus matrix protein
著者Kingston, R.L, Chan, J, Vogt, V.M.
登録日2016-07-24
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
6P0P
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BU of 6p0p by Molmil
Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide
分子名称: (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ...
著者Giardina, S.F, Pingle, M.R, Werner, D.S, Feinberg, P.B, Foreman, K.W, Bergstrom, D.E, Arnold, L.D, Barany, F.
登録日2019-05-17
公開日2020-03-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase.
J.Med.Chem., 63, 2020
9H7V
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BU of 9h7v by Molmil
The baseplate assembly of Haloferax tailed virus 1.
分子名称: Baseplate hub, Baseplate to tube adapter protein gp41, MAGNESIUM ION, ...
著者Zhang, D, Daum, B, Isupov, M.N, McLaren, M.
登録日2024-10-28
公開日2025-08-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献The baseplate assembly of Haloferax tailed virus 1.
To Be Published
1EBL
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BU of 1ebl by Molmil
THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI
分子名称: BETA-KETOACYL-ACP SYNTHASE III, COENZYME A
著者Davies, C, Heath, R.J, White, S.W, Rock, C.O.
登録日2000-01-24
公開日2000-02-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli.
Structure Fold.Des., 8, 2000
6Z53
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BU of 6z53 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2003128
分子名称: 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003128
To Be Published
8DLE
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BU of 8dle by Molmil
Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP
分子名称: 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ...
著者Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D.
登録日2022-07-07
公開日2023-07-12
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes.
J.Am.Chem.Soc., 146, 2024
9ETR
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BU of 9etr by Molmil
Crystal structure of PARP1 catalytic domain bound to AZD9574
分子名称: 6-fluoranyl-5-[4-[(5-fluoranyl-2-methyl-3-oxidanylidene-4~{H}-quinoxalin-6-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Schimpl, M.
登録日2024-03-26
公開日2024-12-04
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Discovery of 6-Fluoro-5-{4-[(5-fluoro-2-methyl-3-oxo-3,4-dihydroquinoxalin-6-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD9574): A CNS-Penetrant, PARP1-Selective Inhibitor.
J.Med.Chem., 67, 2024
7S3U
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BU of 7s3u by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
分子名称: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
著者Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
登録日2021-09-08
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021

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