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5U8L
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BU of 5u8l by Molmil
Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44
分子名称: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.
登録日2016-12-14
公開日2017-01-25
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
8QWX
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BU of 8qwx by Molmil
Ligninolytic manganese peroxidase Ape-MnP1 from Agaricales mushrooms
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Santillana, E, Romero, A.
登録日2023-10-20
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-function characterization of two enzymes from novel subfamilies of manganese peroxidases secreted by the lignocellulose-degrading Agaricales fungi Agrocybe pediades and Cyathus striatus.
Biotechnol Biofuels Bioprod, 17, 2024
6PHL
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BU of 6phl by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7ZJK
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BU of 7zjk by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408
分子名称: CspZ
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
6YC2
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BU of 6yc2 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ...
著者Kovalev, K, Gushchin, I, Gordeliy, V.
登録日2020-03-18
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
6EWG
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BU of 6ewg by Molmil
Oreochromis niloticus CEP120 second C2 domain (C2B)
分子名称: Centrosomal protein 120
著者van Breugel, M.
登録日2017-11-04
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Disease-Associated Mutations in CEP120 Destabilize the Protein and Impair Ciliogenesis.
Cell Rep, 23, 2018
6PHQ
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Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.1 A resolution
分子名称: D-glucagon D-BrPhe 6,22
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6J0Y
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BU of 6j0y by Molmil
Crystal Structure of Yeast Rtt107 and Slx4
分子名称: Peptide from Structure-specific endonuclease subunit SLX4, Regulator of Ty1 transposition protein 107
著者Wan, B, Wu, J, Lei, M.
登録日2018-12-27
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
7L64
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BU of 7l64 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Lewis-a
分子名称: CALCIUM ION, Macrophage mannose receptor 1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Weis, W.I, Feinberg, H.
登録日2020-12-23
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
8RF3
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BU of 8rf3 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data
分子名称: 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
6J1J
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BU of 6j1j by Molmil
Crystal structure of HypX from Aquifex aeolicus, A392F-I419F variant in complex with Tetrahydrofolic acid
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, COENZYME A, GLYCEROL, ...
著者Muraki, N, Aono, S.
登録日2018-12-28
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of HypX responsible for CO biosynthesis in the maturation of NiFe-hydrogenase.
Commun Biol, 2, 2019
6EWJ
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BU of 6ewj by Molmil
Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, apo-form
分子名称: Putative capsular polysaccharide biosynthesis protein
著者Achour, A, Sun, R, Sandalova, T, Han, X.
登録日2017-11-04
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae.
Open Biol, 8, 2018
5UA4
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BU of 5ua4 by Molmil
Crystal structure of A179L:Bid BH3 complex
分子名称: 5-HL, BH3-interacting domain death agonist
著者Banjara, S, Caria, S, Kvansakul, M.
登録日2016-12-18
公開日2017-01-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis.
J. Virol., 91, 2017
8QUS
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BU of 8qus by Molmil
Crystal structure of the Plasmodium vivax Apical membrane antigen (AMA1) in complex with single domain i-body WD34
分子名称: Apical merozoite antigen 1, single domain i-body WD34
著者Maddumage, J.C, Kvansakul, M.
登録日2023-10-17
公開日2024-07-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A broadly cross-reactive i-body to AMA1 potently inhibits blood and liver stages of Plasmodium parasites
Res Sq, 2024
7PHN
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BU of 7phn by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
6PI1
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BU of 6pi1 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 4-(dimethylamino)-N-[7-hydroxyamino)-7-oxoheptyl]benzamide
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
7ZQZ
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BU of 7zqz by Molmil
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO complex
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Adams, H.R, Hough, M.A.
登録日2022-05-03
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
6EX9
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BU of 6ex9 by Molmil
Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide
分子名称: Inhibitor Peptide, Integrase
著者Galilee, M, Alian, A.
登録日2017-11-07
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.014 Å)
主引用文献Multimerization of HIV-1 integrase hinges on conserved SH3-docking platforms
Biorxiv, 2018
6B7E
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BU of 6b7e by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one
分子名称: (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
7KEP
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BU of 7kep by Molmil
avibactam-CDD-1 2 minute complex
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
登録日2020-10-11
公開日2021-01-20
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
5FU4
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The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CBM74-RFGH5, 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
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6PCD
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Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
分子名称: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6F9V
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Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2017-12-15
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018

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件を2024-08-28に公開中

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