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8BVD
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FimH lectin domain in complex with mannose C-linked to quinoline
分子名称: (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin
著者Bouckaert, J, Bridot, C.
登録日2022-12-03
公開日2023-02-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists.
Pharmaceutics, 15, 2023
7WSN
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BU of 7wsn by Molmil
Cryo-EM structure of human glucose transporter GLUT4 bound to cytochalasin B in detergent micelles
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytochalasin B, Solute carrier family 2, ...
著者Yuan, Y, Kong, F, Xu, H, Zhu, A, Yan, N, Yan, C.
登録日2022-01-30
公開日2022-05-18
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cryo-EM structure of human glucose transporter GLUT4.
Nat Commun, 13, 2022
1OUK
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BU of 1ouk by Molmil
The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
分子名称: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
著者Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
登録日2003-03-24
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
6Z40
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BU of 6z40 by Molmil
NMR solution structure of the carbohydrate-binding module family 5 (CBM5) from Cellvibrio japonicus CjLPMO10A
分子名称: Carbohydrate binding protein, putative, cpb33A
著者Madland, E, Aachmann, F.L, Courtade, G.
登録日2020-05-22
公開日2021-05-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus.
J.Biol.Chem., 297, 2021
6ZMI
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BU of 6zmi by Molmil
SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-02
公開日2020-08-19
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZYO
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BU of 6zyo by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYR
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BU of 6zyr by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZM7
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BU of 6zm7 by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-01
公開日2020-07-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZME
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BU of 6zme by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-02
公開日2020-08-12
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
8BT4
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BU of 8bt4 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, radical-lost ground state
分子名称: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase
著者Lebrette, H, Srinivas, V, Hogbom, M.
登録日2022-11-27
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
6ZYS
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BU of 6zys by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87000954 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
分子名称: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Karpusas, M, Michelotti, E.L, Springman, E.B.
登録日2005-06-10
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
7Y6A
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BU of 7y6a by Molmil
Crystal structure of Chicken Egg Lysozyme
分子名称: Lysozyme C, NITRATE ION
著者DeMirci, H.
登録日2022-06-18
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source " Turkish DeLight ".
Turk J Biol, 47, 2023
2XFA
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BU of 2xfa by Molmil
Crystal structure of Plasmodium berghei actin depolymerization factor 2
分子名称: ACTIN DEPOLYMERIZATION FACTOR 2
著者Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I.
登録日2010-05-21
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite.
J.Biol.Chem., 286, 2011
7XQ9
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BU of 7xq9 by Molmil
Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in GDN detergents at pH ~8.0
分子名称: Gap junction alpha-1 protein
著者Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S.
登録日2022-05-07
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
分子名称: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
1QKS
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BU of 1qks by Molmil
CYTOCHROME CD1 NITRITE REDUCTASE, OXIDISED FORM
分子名称: CYTOCHROME CD1 NITRITE REDUCTASE, GLYCEROL, HEME C, ...
著者Fulop, V.
登録日1999-08-05
公開日1999-08-18
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The anatomy of a bifunctional enzyme: structural basis for reduction of oxygen to water and synthesis of nitric oxide by cytochrome cd1.
Cell(Cambridge,Mass.), 81, 1995
2P2A
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BU of 2p2a by Molmil
X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution
分子名称: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Frydenvang, K, Kastrup, J.S, Gajhede, M.
登録日2007-03-07
公開日2007-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
7JMA
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BU of 7jma by Molmil
Crystal structure of the apo form of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus
分子名称: Nitrogenase iron-molybdenum cofactor biosynthesis protein NifB
著者Kang, W, Hu, Y, Ribbe, M.W.
登録日2020-07-31
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Angew.Chem.Int.Ed.Engl., 60, 2021
280D
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BU of 280d by Molmil
THE STRUCTURE OF AN RNA DODECAMER SHOWS HOW TANDEM U-U BASE PAIRS INCREASE THE RANGE OF STABLE RNA STRUCTURES AND THE DIVERSITY OF RECOGNITION SITES
分子名称: RNA (5'-R(*GP*GP*CP*GP*CP*UP*UP*GP*CP*GP*UP*C)-3')
著者Lietzke, S.E, Barnes, C.L, Kundrot, C.E.
登録日1996-08-22
公開日1996-09-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of an RNA dodecamer shows how tandem U-U base pairs increase the range of stable RNA structures and the diversity of recognition sites.
Structure, 4, 1996
2MRT
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BU of 2mrt by Molmil
CONFORMATION OF CD-7 METALLOTHIONEIN-2 FROM RAT LIVER IN AQUEOUS SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: CADMIUM ION, CD7 METALLOTHIONEIN-2
著者Braun, W, Schultze, P, Woergoetter, E, Wagner, G, Vasak, M, Kaegi, J.H.R, Wuthrich, K.
登録日1990-05-14
公開日1991-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformation of [Cd7]-metallothionein-2 from rat liver in aqueous solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 203, 1988
2ALC
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BU of 2alc by Molmil
ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING DOMAIN FROM ASPERGILLUS NIDULANS
分子名称: PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR), ZINC ION
著者Cerdan, R, Cahuzac, B, Felenbok, B, Guittet, E.
登録日1999-01-20
公開日2000-01-21
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of AlcR (1-60) provides insight in the unusual DNA binding properties of this zinc binuclear cluster protein.
J.Mol.Biol., 295, 2000
5LAX
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BU of 5lax by Molmil
Crystal structure of HLA_DRB1*04:01 in complex with alpha-enolase peptide 26-40
分子名称: HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ...
著者Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A.
登録日2016-06-15
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Front Immunol, 7, 2016
1AK9
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BU of 1ak9 by Molmil
SUBTILISIN MUTANT 8321
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Whitlow, M, Howard, A.J, Wood, J.F.
登録日1997-05-30
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
5L2W
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BU of 5l2w by Molmil
The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ...
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016

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