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4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
5LMP
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BU of 5lmp by Molmil
Structure of bacterial 30S-IF1-IF3-mRNA translation pre-initiation complex (state-1C)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Hussain, T, Llacer, J.L, Wimberly, B.T, Ramakrishnan, V.
登録日2016-08-01
公開日2016-10-05
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (5.35 Å)
主引用文献Large-Scale Movements of IF3 and tRNA during Bacterial Translation Initiation.
Cell, 167, 2016
3VHO
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BU of 3vho by Molmil
Y61-gg insertion mutant of Tm-Cellulase 12A
分子名称: Endo-1,4-beta-glucanase
著者Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R.
登録日2011-08-30
公開日2012-07-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
3EIK
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BU of 3eik by Molmil
double stranded DNA binding protein
分子名称: 1,2-ETHANEDIOL, TATA-box-binding protein
著者Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P.
登録日2008-09-16
公開日2009-09-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献structural studies of ecTBP
To be Published
5FHB
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BU of 5fhb by Molmil
Crystal Structure of Protective Ebola Virus Antibody 100
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Antibody 100 Fab heavy chain, ...
著者Gilman, M.S.A, McLellan, J.S.
登録日2015-12-21
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
2P51
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BU of 2p51 by Molmil
Crystal structure of the S. pombe Pop2p deadenylation subunit
分子名称: MAGNESIUM ION, SPCC18.06c protein
著者Thyssen Jonstrup, A, Andersen, K.R, Van, L.B, Brodersen, D.E.
登録日2007-03-14
公開日2007-05-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.4-A crystal structure of the S. pombe Pop2p deadenylase subunit unveils the configuration of an active enzyme
Nucleic Acids Res., 35, 2007
3UK9
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BU of 3uk9 by Molmil
Galactose-specific lectin from Dolichos lablab
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K.
登録日2011-11-09
公開日2012-11-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
5LGC
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BU of 5lgc by Molmil
T48 deacetylase with substrate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ArCE4A
著者Rothweiler, U.
登録日2016-07-06
公開日2017-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure and function of a CE4 deacetylase isolated from a marine environment.
PLoS ONE, 12, 2017
6SAJ
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BU of 6saj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-16
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
1M4K
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BU of 1m4k by Molmil
Crystal structure of the human natural killer cell activator receptor KIR2DS2 (CD158j)
分子名称: 1,2-ETHANEDIOL, KILLER CELL IMMUNOGLOBULIN-LIKE RECEPTOR 2DS2, SULFATE ION
著者Saulquin, X, Gastinel, L.N, Vivier, E.
登録日2002-07-03
公開日2003-04-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the human natural killer cell activating receptor KIR2DS2 (CD158j)
J.EXP.MED., 197, 2003
8ILB
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BU of 8ilb by Molmil
The complexes of RbcL, AtRaf1 and AtBSD2 (LFB)
分子名称: Protein BUNDLE SHEATH DEFECTIVE 2, chloroplastic, Ribulose bisphosphate carboxylase large chain, ...
著者Wang, R, Song, H, Zhang, W, Wang, N, Zhang, S, Shao, R.
登録日2023-03-03
公開日2023-11-01
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the functions of Raf1 and Bsd2 in hexadecameric Rubisco assembly.
Mol Plant, 16, 2023
5LKK
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BU of 5lkk by Molmil
Protruding domain of GII.17 norovirus Kawasaki308 in complex with 3-fucosyllactose (3FL)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Major capsid protein, ...
著者Singh, B.K, Morozov, V, Hansman, G.S.
登録日2016-07-22
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural basis of HMOs interaction with the emerging GII.17 norovirus Kawasaki308
To be published
4FJR
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BU of 4fjr by Molmil
Mode of interaction of Merocyanine 540 with HEW Lysozyme
分子名称: 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid, CHLORIDE ION, Lysozyme C
著者Mitra, P, Banerjee, M, Basu, S, Biswas, S.
登録日2012-06-12
公開日2013-07-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mode of interaction of Merocyanine 540 dye with lysozyme
To be Published
3ED0
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BU of 3ed0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
著者Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
登録日2008-09-02
公開日2009-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
1MKL
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BU of 1mkl by Molmil
NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE
分子名称: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
著者Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P.
登録日2002-08-29
公開日2002-10-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence.
Chem.Res.Toxicol., 15, 2002
5F4J
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BU of 5f4j by Molmil
Protruding domain of GII.17 norovirus Saitama/T87
分子名称: 1,2-ETHANEDIOL, Protruding domain of GII.17 norovirus capsid
著者Singh, B.K, Hansman, G.S.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses.
J.Virol., 90, 2015
5W2W
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BU of 5w2w by Molmil
INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 8-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID
分子名称: (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G.
登録日2017-06-07
公開日2018-02-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
5LW3
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BU of 5lw3 by Molmil
Azotobacter vinelandii Mannuronan C-5 epimerase AlgE6 A-module
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Rothweiler, U.
登録日2016-09-15
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Azotobacter vinelandii Mannuronan C-5 epimerase AlgE6 A-module
To Be Published
3E3X
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BU of 3e3x by Molmil
The C-terminal part of BipA protein from Vibrio parahaemolyticus RIMD 2210633
分子名称: 1,2-ETHANEDIOL, BipA, SULFATE ION
著者Nocek, B, Mulligan, R, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-08-08
公開日2008-09-30
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The C-terminal part of BipA protein from Vibrio parahaemolyticus RIMD 2210633
To be Published
9GGU
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BU of 9ggu by Molmil
Human KRas4A (GDP) in complex with compound 9
分子名称: 1,2-ETHANEDIOL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Schuettelkopf, A.W.
登録日2024-08-14
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
9GGV
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BU of 9ggv by Molmil
Human KRas4A (GDP) in complex with compound 14
分子名称: 1,2-ETHANEDIOL, 5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide, GTPase KRas, ...
著者Schuettelkopf, A.W.
登録日2024-08-14
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
8Q1Z
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BU of 8q1z by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
分子名称: 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile, Serine/threonine-protein kinase VRK2
著者Wang, G.Q, Amrhein, J.A, Knapp, S.
登録日2023-08-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
To Be Published
3M8O
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BU of 3m8o by Molmil
Human IgA1 Fab fragment
分子名称: CHLORIDE ION, GLYCEROL, IMMUNOGLOBULIN A1 HEAVY CHAIN, ...
著者Buschiazzo, A, Trajtenberg, F, Correa, A, Oppezzo, P, Pritsch, O, Dighiero, G.
登録日2010-03-18
公開日2011-03-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
6D8I
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BU of 6d8i by Molmil
Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Polyketide synthase, ...
著者Tang, S, Sacchettini, J.
登録日2018-04-26
公開日2018-06-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
To be Published
3EIU
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BU of 3eiu by Molmil
A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A1Ao ATP synthase
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, V-type ATP synthase beta chain
著者Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G.
登録日2008-09-17
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A(1)A(O) ATP synthase
J.Struct.Biol., 166, 2009

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