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5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
分子名称: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
7S0B
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BU of 7s0b by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ...
著者Tanaka, S, Barnes, C.O, Bjorkman, P.J.
登録日2021-08-30
公開日2021-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
4UZ5
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BU of 4uz5 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM IV - 2.1A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, NOTUM
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
7S2H
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BU of 7s2h by Molmil
Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
分子名称: CITRATE ANION, Glucokinase 1, putative, ...
著者Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L.
登録日2021-09-03
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
5CTD
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BU of 5ctd by Molmil
Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a2a1a1 of type I collagen
分子名称: Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, Collagen alpha-2(I) chain,Collagen alpha-2(IX) chain
著者Boudko, S.P, Bachinger, H.P.
登録日2015-07-23
公開日2016-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5991 Å)
主引用文献Structural insight for chain selection and stagger control in collagen.
Sci Rep, 6, 2016
8RKR
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BU of 8rkr by Molmil
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
分子名称: (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
著者Porfetye, A.T, Vetter, I.R.
登録日2023-12-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
6YYI
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BU of 6yyi by Molmil
Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose
分子名称: 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ...
著者Lafite, P, Daniellou, R, Bretagne, D.
登録日2020-05-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Shah, M.B.
登録日2021-07-23
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
4WDH
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BU of 4wdh by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
5CZY
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BU of 5czy by Molmil
Crystal structure of LegAS4
分子名称: GLYCEROL, Legionella effector LegAS4, S-ADENOSYLMETHIONINE
著者Son, J, Hwang, K.Y, Lee, W.C.
登録日2015-08-01
公開日2015-09-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Legionella pneumophila type IV secretion system effector LegAS4
Biochem.Biophys.Res.Commun., 465, 2015
6YZ5
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BU of 6yz5 by Molmil
H11-D4 complex with SARS-CoV-2 RBD
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, Le Bas, A.
登録日2020-05-06
公開日2020-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献H11-D4 complex with SARS-CoV-2 RBD
To Be Published
7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
著者Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
登録日2021-08-08
公開日2021-10-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
5XQJ
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BU of 5xqj by Molmil
Crystal structure of a PL 26 exo-rhamnogalacturonan lyase from Penicillium chrysogenum complexed with unsaturated galacturonosyl rhamnose substituted with galactose
分子名称: 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-[beta-D-galactopyranose-(1-4)]alpha-L-rhamnopyranose, 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-alpha-L-rhamnopyranose, CALCIUM ION, ...
著者Kunishige, Y, Iwai, M, Tada, T, Nishimura, S, Sakamoto, T.
登録日2017-06-07
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
FEBS Lett., 592, 2018
4WE1
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BU of 4we1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600)
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Gag-Pol polyprotein, MAGNESIUM ION, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-09-09
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.
Acs Med.Chem.Lett., 5, 2014
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
分子名称: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
著者Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-09
公開日2014-09-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
5CTP
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BU of 5ctp by Molmil
Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
7S2N
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BU of 7s2n by Molmil
Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
分子名称: Glucokinase 1
著者Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L.
登録日2021-09-03
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
5D13
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BU of 5d13 by Molmil
Third PDZ domain (PDZ3) of PSD-95 complexed with CFMOC-KKETEV peptide
分子名称: CFMOC-KKETEV peptide, Disks large homolog 4
著者De, S, Spaller, M.R, Olson, R.
登録日2015-08-03
公開日2016-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Chemically-modified peptides as inhibitors of PDZ3 of PSD-95
to be published
4V27
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BU of 4v27 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
著者Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J.
登録日2014-10-07
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
Chemistry, 21, 2015
7SBC
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BU of 7sbc by Molmil
Crystal structure of a GMP synthase from Acinetobacter baumannii AB5075-UW
分子名称: CHLORIDE ION, GMP synthase [glutamine-hydrolyzing], MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-09-24
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a GMP synthase from Acinetobacter baumannii AB5075-UW
To Be Published
7RK2
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BU of 7rk2 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution
分子名称: Capsid protein VP25, scFv 2D9
著者Meyer, L, Cuellar, C, DuBois, R.M.
登録日2021-07-21
公開日2021-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
8RBV
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BU of 8rbv by Molmil
SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
登録日2023-12-05
公開日2024-05-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
7S2P
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BU of 7s2p by Molmil
Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
分子名称: 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose, Glucokinase 1, SULFATE ION
著者Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L.
登録日2021-09-03
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
To Be Published
5XUG
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BU of 5xug by Molmil
Complex structure(RmMan134A-M5).
分子名称: beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, endo-1,4-beta-mannanase
著者Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
登録日2017-06-23
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural and biochemical insights into the substrate-binding mechanism of a novel glycoside hydrolase family 134 beta-mannanase.
Biochim Biophys Acta Gen Subj, 1862, 2018
5CW4
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BU of 5cw4 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (Selenium Edge)
分子名称: BRCA1/BRCA2-containing complex subunit 3, GLYCEROL, Protein FAM175B, ...
著者Zeqiraj, E.
登録日2015-07-27
公開日2015-09-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015

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