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PDB: 27201 件

8EXN
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Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-receptor tyrosine-protein kinase TYK2 activation loop peptide, PHOSPHATE ION, ...
著者Morris, R, Kershaw, N.J, Babon, J.J.
登録日2022-10-25
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8F3N
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Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion penicillin bound form from Enterococcus faecium
分子名称: OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION
著者D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W.
登録日2022-11-10
公開日2023-07-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
1H9E
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LEM-LIKE DOMAIN OF HUMAN INNER NUCLEAR MEMBRANE PROTEIN LAP2
分子名称: LAMINA-ASSOCIATED POLYPEPTIDE 2
著者Laguri, C, Gilquin, B, Wolff, N, Romi-Lebrun, R, Courchay, K, Callebaut, I, Worman, H.J, Zinn-Justin, S.
登録日2001-03-08
公開日2001-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of the Lem Motif Common to Three Human Inner Nuclear Membrane Proteins
Structure, 9, 2001
7RNY
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Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7RNZ
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Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
6QW5
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Structure and function of the toscana virus cap snatching endonuclease
分子名称: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, RNA-dependent RNA polymerase, ...
著者Reguera, J, Jones, R, Bragagniolo, G, Lessoued, S, Mate, M.
登録日2019-03-05
公開日2019-09-25
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Structure and function of the Toscana virus cap-snatching endonuclease.
Nucleic Acids Res., 47, 2019
3ZR4
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STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX
分子名称: GLUTAMINE, GLYCEROL, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF, ...
著者Vega, M.C, Kuper, J, Haeger, M.C, Mohrlueder, J, Marquardt, S, Sterner, R, Wilmanns, M.
登録日2011-06-13
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Chem.Biol., 19, 2012
7R5K
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Human nuclear pore complex (constricted)
分子名称: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
著者Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
登録日2022-02-10
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
8QWS
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Crystal structure of CotB2 variant V80L in complex with alendronate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B.
登録日2023-10-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CotB2 variant V80L in complex with alendronate
To Be Published
4WGH
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Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution
分子名称: ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-18
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution
to be published
6QXM
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Cryo-EM structure of T7 bacteriophage portal protein, 12mer, open valve
分子名称: Portal protein
著者Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M.
登録日2019-03-07
公開日2019-09-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
7RK6
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Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-22
公開日2022-06-22
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 0 mM Ba2+ at 2.91 A
To Be Published
4WJ7
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CCM2 PTB domain in complex with KRIT1 NPxY/F3
分子名称: KRIT1 NPxY/F3, Malcavernin
著者Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J.
登録日2014-09-29
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations.
J.Biol.Chem., 290, 2015
7RJT
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Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-21
公開日2022-06-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 10 mM Ba2+ at 2.93 A
To Be Published
6QLO
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Galectin-3C in complex with substituted fluoroaryltriazole monothiogalactoside derivative 1
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
7RRE
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Carbonic Anhydrase II in complex with Beta-Galactose-2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ...
著者McKenna, R, Combs, J.E.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
6QLQ
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Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
4WKH
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BU of 4wkh by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
4JYU
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Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4WKV
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n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ
分子名称: Acyl-homoserine lactone acylase PvdQ, GLYCEROL, trihydroxy(octyl)borate(1-)
著者Wu, R, Clevenger, K.D, Fast, W, Liu, D.
登録日2014-10-03
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1434 Å)
主引用文献n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
8EHG
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Rabbit muscle aldolase determined using single-particle cryo-EM with Apollo camera.
分子名称: Fructose-bisphosphate aldolase A
著者Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M.
登録日2022-09-14
公開日2022-12-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献Characterizing the resolution and throughput of the Apollo direct electron detector.
J Struct Biol X, 7, 2023
1GZX
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Oxy T State Haemoglobin - Oxygen bound at all four haems
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
著者Paoli, M, Liddington, R, Tame, J, Wilkinson, A, Dodson, G.
登録日2002-06-07
公開日2002-07-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of T State Haemoglobin with Oxygen Bound at All Four Haems.
J.Mol.Biol., 256, 1996
4WR5
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Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1)
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION
著者Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K.
登録日2014-10-23
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Protein stabilization utilizing a redefined codon
Sci Rep, 5, 2015
4JYV
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Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
分子名称: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4WUV
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Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
分子名称: 1,2-ETHANEDIOL, 2-hydroxycyclohexanecarboxyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C.
登録日2014-11-03
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
To be published

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件を2024-07-17に公開中

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