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8SY7
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BU of 8sy7 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-STP base pair in the active site
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shan, Z, Lyumkis, D, Oh, J, Wang, D.
登録日2023-05-24
公開日2023-12-27
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
8C66
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BU of 8c66 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
分子名称: Phenolic acid decarboxylase N55, SULFATE ION
著者Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
登録日2023-01-11
公開日2023-07-19
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures.
Acs Sustain Chem Eng, 12, 2024
6G9X
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BU of 6g9x by Molmil
Crystal structure of a MFS transporter at 2.54 Angstroem resolution
分子名称: 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ...
著者Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
登録日2018-04-11
公開日2019-07-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
6MXC
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BU of 6mxc by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine-xanthine phosphoribosyltranferase in complex with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
8E1E
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BU of 8e1e by Molmil
Scaffolding protein functional sites using deep learning
分子名称: SG122_C3
著者Bera, A.K, Gerben, S, Baker, D.
登録日2022-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (4.27 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
2ERL
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BU of 2erl by Molmil
PHEROMONE ER-1 FROM
分子名称: ETHANOL, MATING PHEROMONE ER-1
著者Anderson, D.H, Weiss, M.S, Eisenberg, D.
登録日1995-12-20
公開日1996-07-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献A challenging case for protein crystal structure determination: the mating pheromone Er-1 from Euplotes raikovi.
Acta Crystallogr.,Sect.D, 52, 1996
6MXB
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BU of 6mxb by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine-xanthine phosphoribosyltranferase in complex with XMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, putative, MAGNESIUM ION, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
8E55
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BU of 8e55 by Molmil
Design of Diverse Asymmetric Pockets in de novo Homo-oligomeric Proteins
分子名称: SG135
著者Gerben, S, Borst, A.J, Baker, D.
登録日2022-08-19
公開日2023-01-25
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
7M40
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BU of 7m40 by Molmil
Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
分子名称: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine
著者Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2021-03-19
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
分子名称: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
著者Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
登録日2022-11-13
公開日2023-09-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.213 Å)
主引用文献Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
6FMF
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BU of 6fmf by Molmil
Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure
分子名称: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid
著者Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P.
登録日2018-01-31
公開日2018-10-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.811 Å)
主引用文献Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
2EZ1
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BU of 2ez1 by Molmil
Holo tyrosine phenol-lyase from Citrobacter freundii at pH 8.0
分子名称: POTASSIUM ION, Tyrosine phenol-lyase
著者Milic, D, Matkovic-Calogovic, D, Demidkina, T.V, Antson, A.A.
登録日2005-11-10
公開日2006-07-25
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of apo- and holo-tyrosine phenol-lyase reveal a catalytically critical closed conformation and suggest a mechanism for activation by K+ ions
Biochemistry, 45, 2006
2A7M
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BU of 2a7m by Molmil
1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis
分子名称: GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION
著者Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D.
登録日2005-07-05
公開日2005-08-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis
Proc.Natl.Acad.Sci.Usa, 102, 2005
6MXG
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BU of 6mxg by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with XMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
5AFW
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BU of 5afw by Molmil
Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ...
著者Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R.
登録日2015-01-26
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
5AEP
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BU of 5aep by Molmil
Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders
分子名称: 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
著者Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D.
登録日2015-01-08
公開日2015-04-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
7ZJP
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BU of 7zjp by Molmil
Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
分子名称: 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1
著者Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
1YR8
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BU of 1yr8 by Molmil
PAB0955 crystal structure : a GTPase in GTP bound form from Pyrococcus abyssi
分子名称: ATP(GTP)binding protein, GUANOSINE-5'-TRIPHOSPHATE
著者Gras, S, Carpentier, P, Armengaud, J, Housset, D.
登録日2005-02-03
公開日2006-02-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into a new homodimeric self-activated GTPase family.
Embo Rep., 8, 2007
1YRB
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BU of 1yrb by Molmil
PAB0955 crystal structure : a GTPase in GDP and Mg bound form from Pyrococcus abyssi
分子名称: ATP(GTP)binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Gras, S, Carpentier, P, Armengaud, J, Housset, D.
登録日2005-02-03
公開日2006-02-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into a new homodimeric self-activated GTPase family.
Embo Rep., 8, 2007
2YF4
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BU of 2yf4 by Molmil
Crystal structure of DR2231, the MazG-like protein from Deinococcus radiodurans, Apo structure
分子名称: GLYCEROL, MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE, SULFATE ION
著者Goncalves, A.M.D, deSanctis, D, McSweeney, S.M.
登録日2011-04-01
公開日2011-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
2WXV
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BU of 2wxv by Molmil
Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G.
登録日2009-11-10
公開日2010-02-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
6FMC
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BU of 6fmc by Molmil
Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure
分子名称: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1
著者Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P.
登録日2018-01-30
公開日2018-10-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
1COS
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BU of 1cos by Molmil
CRYSTAL STRUCTURE OF A SYNTHETIC TRIPLE-STRANDED ALPHA-HELICAL BUNDLE
分子名称: COILED SERINE
著者Lovejoy, B, Choe, S, Cascio, D, Mcrorie, D.K, Degrado, W, Eisenberg, D.
登録日1993-01-22
公開日1993-10-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a synthetic triple-stranded alpha-helical bundle.
Science, 259, 1993
1ANV
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BU of 1anv by Molmil
ADENOVIRUS 5 DBP/URANYL FLUORIDE SOAK
分子名称: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, URANYL (VI) ION, ZINC ION
著者Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
登録日1996-03-14
公開日1997-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational change of the adenovirus DNA-binding protein induced by soaking crystals with K3UO2F5 solutions.
Acta Crystallogr.,Sect.D, 52, 1996
2C8Q
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BU of 2c8q by Molmil
insuline(1sec) and UV laser excited fluorescence
分子名称: INSULIN A CHAIN, INSULIN B CHAIN
著者Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D.
登録日2005-12-06
公開日2006-03-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops.
Acta Crystallogr.,Sect.D, 62, 2006

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