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1HLK
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BU of 1hlk by Molmil
METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR
分子名称: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ...
著者Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
登録日2000-12-01
公開日2001-11-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
1KR3
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Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050.
分子名称: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ...
著者Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
登録日2002-01-08
公開日2003-01-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
8W0S
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BU of 8w0s by Molmil
Human EBP complexed with compound 3a
分子名称: 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
著者Sun, D, Masureel, M.
登録日2024-02-14
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
8W0R
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BU of 8w0r by Molmil
Human EBP complexed with compound 1
分子名称: 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
著者Sun, D, Masureel, M.
登録日2024-02-14
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
7U8G
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BU of 7u8g by Molmil
Cryo-EM structure of the core human NADPH oxidase NOX2
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ...
著者Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T.
登録日2022-03-08
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the core human NADPH oxidase NOX2.
Nat Commun, 13, 2022
8CMZ
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BU of 8cmz by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CN0
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Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNA
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BU of 8cna by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CND
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Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CNB
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BU of 8cnb by Molmil
Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8OG2
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BU of 8og2 by Molmil
Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, SODIUM ION, SULFATE ION, ...
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-03-17
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8PQ4
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BU of 8pq4 by Molmil
Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
分子名称: 1,2-ETHANEDIOL, Transcriptional regulator HosA
著者Arpita, G, Kavyashree, M, Kannika, B.R, Madan Kumar, S.
登録日2023-07-10
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
To Be Published
6T1Z
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BU of 6t1z by Molmil
LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ...
著者Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C.
登録日2019-10-07
公開日2020-07-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity.
Nat.Struct.Mol.Biol., 27, 2020
3KQ5
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BU of 3kq5 by Molmil
Crystal structure of an uncharacterized protein from Coxiella burnetii
分子名称: Hypothetical cytosolic protein
著者Bonanno, J.B, Freeman, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-11-17
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of an uncharacterized protein from Coxiella burnetii
To be Published
2N70
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BU of 2n70 by Molmil
Two-fold symmetric structure of the 18-60 construct of S31N M2 from Influenza A in lipid bilayers
分子名称: Matrix protein 2
著者Andreas, L.B, Reese, M, Eddy, M.T, Gelev, V, Ni, Q, Miller, E.A, Emsley, L, Pintacuda, G, Chou, J.J, Griffin, R.G.
登録日2015-09-01
公開日2015-09-23
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure and Mechanism of the Influenza A M218-60 Dimer of Dimers.
J.Am.Chem.Soc., 137, 2015
2PQ0
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BU of 2pq0 by Molmil
Crystal structure of Hyopthetical protein (gk_1056) from geobacillus Kaustophilus HTA426
分子名称: Hypothetical conserved protein GK1056
著者Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-01
公開日2008-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Hyopthetical protein (gk_1056) from geobacillus Kaustophilus HTA426
To be Published
2PPY
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BU of 2ppy by Molmil
Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase
著者Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-01
公開日2008-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
To be Published
1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
分子名称: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
登録日2005-03-16
公開日2005-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
3ZOT
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BU of 3zot by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 (data set 2)
分子名称: CHLORIDE ION, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, ...
著者Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
登録日2013-02-24
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity.
Structure, 21, 2013
3ZMH
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BU of 3zmh by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L62
分子名称: CHLORIDE ION, CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE, RHOMBOID PROTEASE GLPG, ...
著者Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
登録日2013-02-11
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of rhomboid protease in complex with beta-lactam inhibitors defines the S2' cavity.
Structure, 21, 2013
3ZMJ
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BU of 3zmj by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L61
分子名称: 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate, CHLORIDE ION, RHOMBOID PROTEASE GLPG, ...
著者Vinothkumar, K.R, Pierrat, O, Large, J.M, Freeman, M.
登録日2013-02-11
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity.
Structure, 21, 2013
3ZMI
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Structure of E.coli rhomboid protease GlpG in complex with monobactam L29
分子名称: RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
著者Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
登録日2013-02-11
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity.
Structure, 21, 2013
2XOW
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Structure of GlpG in complex with a mechanism-based isocoumarin inhibitor
分子名称: 5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZOIC ACID, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside
著者Vinothkumar, K.R, Strisovsky, K, Andreeva, A, Christova, Y, Verhelst, S, Freeman, M.
登録日2010-08-24
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Structural Basis for Catalysis and Substrate Specificity of a Rhomboid Protease
Embo J., 29, 2010
2XOV
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Crystal Structure of E.coli rhomboid protease GlpG, native enzyme
分子名称: GLYCEROL, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside
著者Vinothkumar, K.R, Strisovsky, K, Andreeva, A, Christova, Y, Verhelst, S, Freeman, M.
登録日2010-08-24
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structural basis for catalysis and substrate specificity of a rhomboid protease.
EMBO J., 29, 2010
6ZTJ
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BU of 6ztj by Molmil
E. coli 70S-RNAP expressome complex in NusG-coupled state (38 nt intervening mRNA)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
著者Webster, M.W, Takacs, M, Weixlbaumer, A.
登録日2020-07-20
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020

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