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4D0W
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BU of 4d0w by Molmil
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
著者Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
6I2R
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Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA
分子名称: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
著者Wagner, T, Bellinzoni, M, Alzari, P.M.
登録日2018-11-01
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
2VM6
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Human Bcl2-A1 in complex with Bim-BH3 peptide
分子名称: BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION
著者Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-01-23
公開日2008-02-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
1FMF
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BU of 1fmf by Molmil
REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM
分子名称: METHYLASPARTATE MUTASE S CHAIN
著者Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B.
登録日2000-08-17
公開日2002-02-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum.
Chembiochem, 2, 2001
3BIU
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Human thrombin-in complex with UB-THR10
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ...
著者Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G.
登録日2007-12-01
公開日2007-12-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
1FZQ
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CRYSTAL STRUCTURE OF MURINE ARL3-GDP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 3, AMMONIUM ION, ...
著者Hillig, R.C, Hanzal-Bayer, M, Linari, M, Becker, J, Wittinghofer, A, Renault, L.
登録日2000-10-04
公開日2000-12-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical properties show ARL3-GDP as a distinct GTP binding protein.
Structure Fold.Des., 8, 2000
3BIV
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Human thrombin-in complex with UB-THR11
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ...
著者Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G.
登録日2007-12-01
公開日2007-12-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
1ZMY
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cAbBCII-10 VHH framework with CDR loops of cAbLys3 grafted on it and in complex with hen egg white lysozyme
分子名称: Antibody cabbcII-10:lys3, Lysozyme C
著者Saerens, D, Pellis, M, Loris, R, Pardon, E, Dumoulin, M, Matagne, A, Wyns, L, Muyldermans, S, Conrath, K.
登録日2005-05-11
公開日2005-10-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of a universal VHH framework to graft non-canonical antigen-binding loops of camel single-domain antibodies
J.Mol.Biol., 352, 2005
3JCT
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Cryo-em structure of eukaryotic pre-60S ribosomal subunits
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
登録日2016-03-09
公開日2016-06-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
4D1S
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Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2
著者Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-05-05
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D0X
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Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
著者Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4O9R
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BU of 4o9r by Molmil
Human Smoothened Receptor structure in complex with cyclopamine
分子名称: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
著者Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
登録日2014-01-02
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
6I2P
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Crystal structure of the Mycobacterium tuberculosis PknB kinase domain (L33E mutant) in complex with its substrate GarA
分子名称: Glycogen accumulation regulator GarA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Andre-Leroux, G, Hindie, V, Barilone, N, Bellinzoni, M, Alzari, P.M.
登録日2018-11-01
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
2XSQ
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BU of 2xsq by Molmil
Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium
分子名称: CHLORIDE ION, INOSINIC ACID, MAGNESIUM ION, ...
著者Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van den Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-29
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for the Specificity of Human Nudt16 and its Regulation by Inosine Monophosphate.
Plos One, 10, 2015
6I2Q
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Crystal structure of the wild-type SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), in complex with GarA
分子名称: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
著者Wagner, T, Bellinzoni, M, Alzari, P.M.
登録日2018-11-01
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
1VTF
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STRUCTURE OF 5'-D(*(BRO)CP*GP*(BRO)CP*G)-3' IN COMPLEX WITH PROFLAVINE
分子名称: DNA (5'-D(*(BRO)CP*GP*(BRO)CP*G)-3'), PROFLAVIN
著者Westhof, E, Hosur, M.V, Sundaralingam, M.
登録日1988-12-13
公開日2011-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nonintercalative binding of proflavin to Z-DNA: structure of a complex between d(5BrC-G-5BrC-G) and proflavin.
Biochemistry, 27, 1988
3E77
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Human phosphoserine aminotransferase in complex with PLP
分子名称: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Lehtio, L, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, S.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Wisniewska, M, Weigelt, J, Schueler, H, Structural Genomics Consortium (SGC)
登録日2008-08-18
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human phosphoserine aminotransferase in complex with PLP
TO BE PUBLISHED
3ELB
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Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Ethanolamine-phosphate cytidylyltransferase, GLYCEROL
著者Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-09-22
公開日2008-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human CTP:Phosphoethanolamine Cytidylyltransferase
To be Published
3EQ5
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BU of 3eq5 by Molmil
Crystal structure of fragment 137 to 238 of the human Ski-like protein
分子名称: Ski-like protein
著者Tresaugues, L, Wisniewska, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Van Den Berg, S, Welin, M, Wikstrom, M, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-09-30
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of fragment 137 to 238 of the human Ski-like protein.
To be Published
6ZZJ
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Crystal structure of the catalytic domain of Corynebacterium glutamicum acetyltransferase AceF (E2p) in complex with oxidized CoA.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, OXIDIZED COENZYME A
著者Bruch, E.M, Lexa-Sapart, N, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZZN
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Crystal structure of the cubic catalytic core of the Mycobacterium tuberculosis branched-chain alphaketoacid acyltransferase component (E2b).
分子名称: ACETATE ION, Dihydrolipoyllysine-residue acyltransferase component of branched-chain alpha-ketoacid dehydrogenase complex, IMIDAZOLE
著者Vilela, P, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZZK
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Crystal structure of the catalytic domain of C. glutamicum AceF (E2p) in ternary complex with CoA and dihydrolipoamide.
分子名称: 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE, COENZYME A, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
著者Bruch, E.M, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZZM
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Crystal structure of the catalytic domain of Corynebacterium mustelae predicted acetyltransferase AceF (E2p).
分子名称: COENZYME A, Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex
著者Bruch, E.M, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZZL
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Crystal structure of the catalytic domain plus N-terminal linker of the acetyltransferase AceF (E2p) from Corynebacterium glutamicum.
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, GLYCEROL, PHOSPHATE ION
著者Yang, L, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZZI
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Crystal structure of the catalyic domain of Corynebacterium glutamicum acetyltransferase AceF (E2p).
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
著者Bruch, E.M, Lexa-Sapart, N, Bellinzoni, M.
登録日2020-08-04
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021

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