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PDB: 42289 件

1WBW
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Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
分子名称: 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
登録日2004-11-05
公開日2005-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
1RH3
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BU of 1rh3 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sawaya, M.R, Kraut, J.
登録日1996-11-27
公開日1997-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
4XDW
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BU of 4xdw by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
分子名称: Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-20
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XZC
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BU of 4xzc by Molmil
The crystal structure of Kupe virus nucleoprotein
分子名称: Nucleoprotein
著者Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
登録日2015-02-04
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4I4Z
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BU of 4i4z by Molmil
Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA
分子名称: BICARBONATE ION, MALONATE ION, Naphthoate synthase, ...
著者Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Gong, W, Li, J, Li, Z, Xu, Y.
登録日2015-02-05
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
8DHY
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BU of 8dhy by Molmil
N-terminal fragment of MsbA fused to GFP in complex with copper(II)
分子名称: COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein
著者Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A.
登録日2022-06-28
公開日2022-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
8DL7
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BU of 8dl7 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ...
著者Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
登録日2022-07-07
公開日2022-12-07
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
7D63
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BU of 7d63 by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-29
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (12.3 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
7D4I
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BU of 7d4i by Molmil
Cryo-EM structure of 90S small ribosomal precursors complex with the DEAH-box RNA helicase Dhr1 (State F)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-24
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of 90S small ribosomal precursors complex with Dhr1
To Be Published
7D5S
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BU of 7d5s by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S12, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-28
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
To Be Published
8DL8
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BU of 8dl8 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc
分子名称: 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ...
著者Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
登録日2022-07-07
公開日2022-12-07
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
7D5T
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BU of 7d5t by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-28
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
4CYI
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BU of 4cyi by Molmil
Chaetomium thermophilum Pan3
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, ...
著者Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A.
登録日2014-04-11
公開日2014-06-11
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation
Embo J., 33, 2014
4Y2K
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BU of 4y2k by Molmil
reduced form of apo-GolB
分子名称: Putative metal-binding transport protein
著者Wei, W, Wang, F, Ma, L, Zhao, J.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
8CTH
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BU of 8cth by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex
分子名称: Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
著者Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I.
登録日2022-05-14
公開日2022-12-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
8CTI
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BU of 8cti by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Val) complex
分子名称: tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4, tRNA-Val-TAC-2-1
著者Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fischer, E.S, Gregory, R.I.
登録日2022-05-14
公開日2022-12-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
8DCY
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BU of 8dcy by Molmil
CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab
分子名称: 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
登録日2022-06-17
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DAL
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BU of 8dal by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-13
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DJY
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BU of 8djy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
分子名称: (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
4XOA
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BU of 4xoa by Molmil
Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1
分子名称: FimG, Protein FimH
著者Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
分子名称: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DC5
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BU of 8dc5 by Molmil
CCHFV GP38 Hoti/Kosovo
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, IODIDE ION
著者Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
登録日2022-06-15
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
分子名称: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-27
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023

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