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4CHH
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N-terminal domain of yeast PIH1p
分子名称: 1,2-ETHANEDIOL, PROTEIN INTERACTING WITH HSP90 1
著者Roe, S.M, Pal, M.
登録日2013-12-02
公開日2014-05-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014
2X2M
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BU of 2x2m by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
1ODZ
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BU of 1odz by Molmil
Expansion of the glycosynthase repertoire to produce defined manno-oligosaccharides
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mannan endo-1,4-beta-mannosidase, SODIUM ION, ...
著者Jahn, M, Stoll, D, Warren, R.A.J, Szabo, L, Singh, P, Gilbert, H.J, Ducros, V.M.A, Davies, G.J, Withers, S.G.
登録日2003-03-17
公開日2003-07-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Expansion of the Glycosynthase Repertoire to Produce Defined Manno-Oligosaccharides
Chem.Commun.(Camb.), 12, 2003
5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
分子名称: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
1O4W
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CRYSTAL STRUCTURE OF a PIN (PILT N-TERMINUS) DOMAIN CONTAINING PROTEIN (AF0591) FROM ARCHAEOGLOBUS FULGIDUS AT 1.90 A RESOLUTION
分子名称: PIN (PilT N-terminus) domain
著者Joint Center for Structural Genomics (JCSG)
登録日2003-07-16
公開日2003-07-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a PIN (PilT N-terminus) domain (AF0591) from Archaeoglobus fulgidus at 1.90 A resolution
Proteins, 56, 2004
3JXW
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BU of 3jxw by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
分子名称: 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Stoll, V.S.
登録日2009-09-21
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
4CQ5
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BU of 4cq5 by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHENYLALANINE AMINOMUTASE, ...
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2014-02-11
公開日2014-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
6B4E
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BU of 6b4e by Molmil
Crystal structure of Saccharomyces cerevisiae Gle1 CTD-Nup42 GBM complex
分子名称: 1,2-ETHANEDIOL, Nucleoporin GLE1, Nucleoporin NUP42, ...
著者Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A.
登録日2017-09-26
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional analysis of mRNA export regulation by the nuclear pore complex.
Nat Commun, 9, 2018
8SZS
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BU of 8szs by Molmil
Cat DHX9 bound to GDP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-09-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9.
Slas Discov, 28, 2023
4ZGH
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BU of 4zgh by Molmil
Structure of Sugar Binding Protein Pneumolysin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GOLD (I) CYANIDE ION, ...
著者Parker, M.W, Feil, S.C, Morton, C.
登録日2015-04-23
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Streptococcus pneumoniae pneumolysin provides key insights into early steps of pore formation.
Sci Rep, 5, 2015
3GB8
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BU of 3gb8 by Molmil
Crystal structure of CRM1/Snurportin-1 complex
分子名称: Exportin-1, Snurportin-1
著者Dong, X, Biswas, A, Suel, K.E, Jackson, L.K, Martinez, R, Gu, H, Chook, Y.M.
登録日2009-02-19
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for leucine-rich nuclear export signal recognition by CRM1.
Nature, 458, 2009
3PVX
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BU of 3pvx by Molmil
Binary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV
分子名称: CALCIUM ION, DNA (5'-D(*AP*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
著者Banerjee, S.
登録日2010-12-07
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
4PCR
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BU of 4pcr by Molmil
Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-Br, ...
著者Delatorre, P, Rocha, B.A.M, Silva-Filho, J.C, Teixeira, C.S, Cavada, B.S, Nascimento, K.S, Nbrega, R.B, Nagano, C.S, Sampaio, A.H, Leal, R.B, Neto, I.L.B.
登録日2014-04-16
公開日2015-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA)
To Be Published
5SO3
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BU of 5so3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
3K6O
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BU of 3k6o by Molmil
Crystal structure of protein of unknown function DUF1344 (YP_001299214.1) from Bacteroides vulgatus ATCC 8482 at 2.00 A resolution
分子名称: SULFATE ION, TETRAETHYLENE GLYCOL, uncharacterized protein DUF1344
著者Joint Center for Structural Genomics (JCSG)
登録日2009-10-09
公開日2009-11-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of protein of unknown function DUF1344 (YP_001299214.1) from Bacteroides vulgatus ATCC 8482 at 2.00 A resolution
To be published
5SNY
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BU of 5sny by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749
分子名称: (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name), 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SN6
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PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
3JQM
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BU of 3jqm by Molmil
Binding of 5'-GTP to molybdenum cofactor biosynthesis protein MoaC from Thermus theromophilus HB8
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-09-07
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 66, 2010
5SNN
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BU of 5snn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5SOF
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BU of 5sof by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5W91
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Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
分子名称: 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
5W9R
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Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
分子名称: 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R.
登録日2017-06-23
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published
4PF9
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Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
分子名称: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025

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