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PDB: 89111 件

6HIB
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The ATAD2 bromodomain in complex with compound 14
分子名称: 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
5CSY
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Disproportionating enzyme 1 from Arabidopsis - acarbose soak
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
著者O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
登録日2015-07-23
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
6BN3
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BU of 6bn3 by Molmil
CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
著者Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S.
登録日2017-11-16
公開日2018-11-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
6MW1
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BU of 6mw1 by Molmil
cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
分子名称: Pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6HIF
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BU of 6hif by Molmil
Kuenenia stuttgartiensis hydrazine dehydrogenase complex
分子名称: GLYCEROL, HEME C, Hydrazine dehydrogenase, ...
著者Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M.
登録日2018-08-29
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
6BND
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BU of 6bnd by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
5FMA
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BU of 5fma by Molmil
human Notch 1, EGF 4-7
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C.
登録日2015-11-02
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
6BMA
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BU of 6bma by Molmil
The crystal structure of indole-3-glycerol phosphate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Tan, K, Zhou, M, Nocek, B, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-14
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The crystal structure of indole-3-glycerol phosphate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
To Be Published
6BGR
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BU of 6bgr by Molmil
Caspase-3 Mutant - S150E
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
4FAQ
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BU of 4faq by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Ca2+ and 5'-exon
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Group IIC intron, ...
著者Marcia, M, Pyle, A.M.
登録日2012-05-22
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Visualizing Group II Intron Catalysis through the Stages of Splicing.
Cell(Cambridge,Mass.), 151, 2012
7Q3Q
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BU of 7q3q by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing nanobody VHH-12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Fernandez, I, Pederzoli, R, Rey, F.A.
登録日2021-10-28
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NANOBODIES AGAINST SARS-COV-2 NEUTRALIZE VARIANTS OF CONCERN AND EXPLORE CONFORMATIONAL DIFFERENCES ON THE SPIKE PROTEIN
To Be Published
6HM3
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BU of 6hm3 by Molmil
Crystal structure of Rad4 BRCT1,2 in complex with a Sld3 phosphopeptide
分子名称: CALCIUM ION, DNA replication regulator sld3, GLYCEROL, ...
著者Day, M, Rappas, M, Oliver, A.W, Pearl, L.H.
登録日2018-09-12
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77263618 Å)
主引用文献BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
6MW0
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BU of 6mw0 by Molmil
Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
分子名称: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6HN3
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BU of 6hn3 by Molmil
wildtype form (apo) of human GPX4 with Se-Cys46
分子名称: CHLORIDE ION, ETHANOL, GLYCEROL, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, J, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S.
登録日2018-09-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
6MW5
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BU of 6mw5 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Platinum
分子名称: 1,2-ETHANEDIOL, PLATINUM (II) ION, UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase, ...
著者Kim, H.W, Wood, Z.A, West, C.M.
登録日2018-10-29
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
4Z7G
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BU of 4z7g by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
分子名称: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Bayliss, R, Joshi, A.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4RV3
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BU of 4rv3 by Molmil
Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F.
登録日2014-11-24
公開日2015-07-01
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
5YRS
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BU of 5yrs by Molmil
X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate
分子名称: PROTEASE, RT-RH oligopeprtide
著者Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V.
登録日2017-11-10
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate.
J. Am. Chem. Soc., 132, 2010
5US1
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BU of 5us1 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A
分子名称: (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ...
著者Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-13
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
6FV9
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Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007
分子名称: 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, GLYCEROL, MAGNESIUM ION, ...
著者Singh, A.K, Brown, D.G.
登録日2018-03-01
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献TbrPDEB1 structure with inhibitor NPD-007
To be published
5K7U
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BU of 5k7u by Molmil
Crystal structure of the catalytic domains of Mettl3/Mettl14 complex with SAM
分子名称: N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase subunit METTL14, S-ADENOSYLMETHIONINE
著者Wang, P, Doxtader, K.A, Nam, Y.
登録日2016-05-26
公開日2016-07-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Cooperative Function of Mettl3 and Mettl14 Methyltransferases.
Mol.Cell, 63, 2016
6TVY
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BU of 6tvy by Molmil
Structure of hen egg white lysozyme crystallized in the presence of Tb-Xo4 crystallophore in the XtalController device
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者de Wijn, R, Rollet, K, Coudray, L, McEwen, A.G, Lorber, B, Sauter, C.
登録日2020-01-10
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering
Crystals, 2020
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
登録日2016-05-23
公開日2016-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
4RW0
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BU of 4rw0 by Molmil
Crystal structure of a member of the lipolytic protein G-D-S-L family from Veillonella parvula DSM 2008
分子名称: GLYCEROL, Lipolytic protein G-D-S-L family, SODIUM ION
著者Nocek, B, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-11-30
公開日2015-01-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a member of the lipolytic protein G-D-S-L family from Veillonella parvula DSM 2008
To be Published
6BIF
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BU of 6bif by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one
分子名称: 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
著者Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one
To Be Published

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件を2024-09-11に公開中

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