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PDB: 14950 件

5LBZ
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Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib
分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Medard, G, Kuster, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
6XEZ
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Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Llewellyn, E.C, Campbell, E.A, Darst, S.A.
登録日2020-06-14
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Basis for Helicase-Polymerase Coupling in the SARS-CoV-2 Replication-Transcription Complex.
Cell, 182, 2020
6QUU
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BU of 6quu by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
登録日2019-02-28
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
5M5A
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BU of 5m5a by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-10-21
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAH
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BU of 5mah by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
1I6E
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BU of 1i6e by Molmil
SOLUTION STRUCTURE OF THE FUNCTIONAL DOMAIN OF PARACOCCUS DENITRIFICANS CYTOCHROME C552 IN THE OXIDIZED STATE
分子名称: CYTOCHROME C552, HEME C
著者Reincke, B, Perez, C, Pristovsek, P, Luecke, C, Ludwig, C, Loehr, F, Rogov, V.V, Ludwig, B, Rueterjans, H.
登録日2001-03-02
公開日2001-10-17
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the functional domain of Paracoccus denitrificans cytochrome c(552) in both redox states.
Biochemistry, 40, 2001
1I6D
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BU of 1i6d by Molmil
SOLUTION STRUCTURE OF THE FUNCTIONAL DOMAIN OF PARACOCCUS DENITRIFICANS CYTOCHROME C552 IN THE REDUCED STATE
分子名称: CYTOCHROME C552, HEME C
著者Reincke, B, Perez, C, Pristovsek, P, Luecke, C, Ludwig, C, Loehr, F, Rogov, V.V, Ludwig, B, Rueterjans, H.
登録日2001-03-02
公開日2001-10-17
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the functional domain of Paracoccus denitrificans cytochrome c(552) in both redox states.
Biochemistry, 40, 2001
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
分子名称: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
著者Tan, K, Chen, B, Tse-Dinh, Y.C.
登録日2014-11-20
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
分子名称: CACODYLATE ION, CALCIUM ION, GH95, ...
著者Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
登録日2015-03-16
公開日2015-07-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
4UOS
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BU of 4uos by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
分子名称: DESIGNED HELICAL BUNDLE
著者Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
登録日2014-06-09
公開日2014-11-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014
4UOT
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BU of 4uot by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
分子名称: DESIGNED HELICAL BUNDLE 5H2L
著者Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
登録日2014-06-09
公開日2014-11-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014
4USN
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BU of 4usn by Molmil
The structure of the immature HIV-1 capsid in intact virus particles at sub-nm resolution
分子名称: P24
著者Schur, F.K.M, Hagen, W.J.H, Rumlova, M, Ruml, T, Mueller, B, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2014-07-11
公開日2014-11-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Structure of the Immature HIV-1 Capsid in Intact Virus Particles at 8.8 A Resolution.
Nature, 517, 2015
4W99
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BU of 4w99 by Molmil
Apo-structure of the Y79F,W322E-double mutant of Etr1p
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
著者Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J.
登録日2014-08-27
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
登録日2009-09-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
登録日2011-02-01
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CT2
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BU of 6ct2 by Molmil
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
分子名称: 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ...
著者Ren, B, Peat, T.S.
登録日2018-03-22
公開日2018-08-01
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
4V39
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Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis
分子名称: SIALYLTRANSFERASE
著者Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
登録日2014-10-17
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
4URD
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BU of 4urd by Molmil
Cryo-EM map of Trigger Factor bound to a translating ribosome
分子名称: TRIGGER FACTOR
著者Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R.
登録日2014-06-27
公開日2016-01-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Dynamic Behavior of Trigger Factor on the Ribosome.
J.Mol.Biol., 428, 2016
4V31
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BU of 4v31 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine
分子名称: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
8TAZ
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BU of 8taz by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors
分子名称: Angiotensin-converting enzyme, Spike glycoprotein
著者Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B.
登録日2023-06-28
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
4UT5
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BU of 4ut5 by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide
分子名称: CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ...
著者Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B.
登録日2014-07-18
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa.
Front.Microbiol., 7, 2016
4V5V
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BU of 4v5v by Molmil
Structure of respiratory syncytial virus nucleocapsid protein, P1 crystal form
分子名称: RESPIRATORY SYNCYTIAL VIRUS NUCLEOCAPSID PROTEIN, RNA
著者El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K.
登録日2011-05-04
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Acta Crystallogr.,Sect.F, 67, 2011
4V58
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Crystal structure of fatty acid synthase from thermomyces lanuginosus at 3.1 angstrom resolution.
分子名称: FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE
著者Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N.
登録日2007-03-09
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling
Science, 316, 2007

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件を2024-06-05に公開中

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