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6W38
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Crystal structure of the FAM46C/Plk4 complex
分子名称: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.48 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
4S1G
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Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8BXZ
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Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid
分子名称: Alginate lyase, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Wilkens, C.
登録日2022-12-11
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid
To Be Published
4WQD
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Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant
分子名称: 1,2-ETHANEDIOL, GUANIDINE, HEME C, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
5LYT
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COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT TEMPERATURES
分子名称: HEN EGG WHITE LYSOZYME
著者Dewan, J.C, Young, A.C.M, Tilton, R.F.
登録日1992-03-20
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of Radiation-Induced Decay and Structure Refinement from X-Ray Data Collected from Lysozyme Crystals at Low and Ambient Temperatures
J.Appl.Crystallogr., 26, 1993
6NVK
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FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
8JZ8
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Subatomic structure of orthorhombic thaumatin at 0.89 Angstroms
分子名称: DI(HYDROXYETHYL)ETHER, Thaumatin I
著者Masuda, T, Suzuki, M, Yamasaki, M, Mikami, B.
登録日2023-07-04
公開日2024-05-15
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Subatomic structure of orthorhombic thaumatin at 0.89 angstrom reveals that highly flexible conformations are crucial for thaumatin sweetness.
Biochem.Biophys.Res.Commun., 703, 2024
8K06
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BU of 8k06 by Molmil
Pseudouridine 5'-monophosphate glycosylase from Arabidopsis thaliana -- PSU, R5P bound K185A mutant
分子名称: 5-O-phosphono-beta-D-ribofuranose, MANGANESE (II) ION, PSEUDOURIDINE-5'-MONOPHOSPHATE, ...
著者Lee, J.Y, Kim, S.H, Rhee, S.K.
登録日2023-07-07
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Structure and function of the pseudouridine 5'-monophosphate glycosylase PUMY from Arabidopsis thaliana.
Rna Biol., 21, 2024
7UWT
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BU of 7uwt by Molmil
Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution
分子名称: ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ...
著者Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F.
登録日2022-05-03
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity.
Int J Mol Sci, 24, 2023
8FVY
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40S subunit of the Giardia lamblia 80S ribosome
分子名称: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
著者Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
登録日2023-01-20
公開日2024-01-24
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
8LYZ
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AN X-RAY STUDY OF THE STRUCTURE AND BINDING PROPERTIES OF IODINE-INACTIVATED LYSOZYME
分子名称: HEN EGG WHITE LYSOZYME
著者Beddell, C.R, Blake, C.C.F, Oatley, S.J.
登録日1977-09-16
公開日1977-10-24
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An x-ray study of the structure and binding properties of iodine-inactivated lysozyme.
J.Mol.Biol., 97, 1975
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
3BV4
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BU of 3bv4 by Molmil
Crystal structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A, SULFATE ION
著者Sherawat, M, Tolan, D.R, Allen, K.N.
登録日2008-01-04
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant.
Acta Crystallogr.,Sect.D, 64, 2008
5KMG
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BU of 5kmg by Molmil
Near-atomic cryo-EM structure of PRC1 bound to the microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kellogg, E.H, Howes, S, Ti, S.-C, Ramirez-Aportela, E, Kapoor, T.M, Chacon, P, Nogales, E.
登録日2016-06-27
公開日2016-08-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic cryo-EM structure of PRC1 bound to the microtubule.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FDX
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BU of 8fdx by Molmil
AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Nyman, M.C, Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
7UQN
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BU of 7uqn by Molmil
Pathogenesis related 10-10 noscapine complex
分子名称: Pathogenesis Related 10-10 protein, noscapine
著者Carr, S.C, Ng, K.K.S.
登録日2022-04-19
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
5KTX
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CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
4ZOB
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BU of 4zob by Molmil
Crystal Structure of beta-glucosidase from Listeria innocua in complex with gluconolactone
分子名称: D-glucono-1,5-lactone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
登録日2015-05-06
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
2YND
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BU of 2ynd by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide inhibitor.
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W.
登録日2012-10-13
公開日2014-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
8OTR
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BU of 8otr by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM analog BDH 33959089
分子名称: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-21
公開日2023-05-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
6W3J
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Crystal structure of the FAM46C/Plk4/Cep192 complex
分子名称: Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.385 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6VWC
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BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
分子名称: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Judge, R.A, Judd, A.S.
登録日2020-02-19
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020
8PAJ
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BU of 8paj by Molmil
Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
5T7P
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BU of 5t7p by Molmil
Crystal structure of Pisum arvense lectin (PAL) complexed with X-Man
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin, ...
著者Pinto-Junior, V.R, Santiago, M.Q, Osterne, V.J.S, Silva-Filho, J.C, Rocha, B.A.M, Delatorre, P, Nascimento, K.S, Cavada, B.S.
登録日2016-09-05
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Pisum arvense seed lectin (PAL) and characterization of its interaction with carbohydrates by molecular docking and dynamics.
Arch. Biochem. Biophys., 630, 2017
6WB4
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Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ...
著者Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
登録日2020-03-26
公開日2021-04-21
最終更新日2021-12-15
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021

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