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PDB: 88675 件

6R6J
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Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
7ZS4
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BU of 7zs4 by Molmil
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath)
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Adams, H.R, Hough, M.A.
登録日2022-05-06
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 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
7TMU
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Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-20
公開日2022-02-02
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
To Be Published
6GSS
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BU of 6gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
著者Oakley, A, Parker, M.
登録日1997-08-13
公開日1998-09-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
5JZD
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BU of 5jzd by Molmil
A re-refinement of the isochorismate synthase EntC
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
著者Meneely, K.M, Lamb, A.L.
登録日2016-05-16
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
分子名称: Chemotaxis protein CheA, RESORCINOL
著者Adhav, A, Marina, A.
登録日2023-06-15
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
7ZT6
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BU of 7zt6 by Molmil
Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
分子名称: INOSITOL HEXAKISPHOSPHATE, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Kefala Stavridi, A, Chaplin, A.K, Blundell, T.L.
登録日2022-05-09
公開日2023-05-17
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
6GJF
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BU of 6gjf by Molmil
Ancestral endocellulase Cel5A
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ...
著者Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N.
登録日2018-05-16
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
6RCH
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BU of 6rch by Molmil
Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
To Be Published
7QDF
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BU of 7qdf by Molmil
Hexameric HIV-1 (M-group) CA R120 mutant
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ...
著者Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S.
登録日2021-11-26
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
5K12
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BU of 5k12 by Molmil
Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
4X55
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BU of 4x55 by Molmil
Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
分子名称: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
8PWB
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BU of 8pwb by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6)
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
登録日2023-07-19
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW9
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BU of 8pw9 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1)
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
登録日2023-07-19
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
5GG5
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BU of 5gg5 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydrolase, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
7ZMY
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BU of 7zmy by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 in the presence of sodium at 100K
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZN0
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BU of 7zn0 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 8.2 in the presence of sodium at 100K
分子名称: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
6GMG
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BU of 6gmg by Molmil
Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ...
著者Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
登録日2018-05-25
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 2018
7ZVZ
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Cytochrome c prime beta from Methylococcus capsulatus (Bath): Chemically Reduced Ferrous Form
分子名称: Cytochrome c, GLYCEROL, HEME C, ...
著者Adams, H.R, Hough, M.A.
登録日2022-05-17
公開日2023-05-24
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
7ZN3
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Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the L state at pH 8.2 in the presence of sodium at 100K
分子名称: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZVT
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BU of 7zvt by Molmil
CryoEM structure of Ku heterodimer bound to DNA
分子名称: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*TP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ...
著者Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
登録日2022-05-17
公開日2023-05-24
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
7QVI
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BU of 7qvi by Molmil
Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-21
公開日2022-10-12
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
分子名称: Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5T7V
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BU of 5t7v by Molmil
Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M.
登録日2016-09-06
公開日2017-05-31
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
7ZN9
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Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K
分子名称: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023

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