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9AVA
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BU of 9ava by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
分子名称: (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ...
著者Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-03-01
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
4GZJ
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BU of 4gzj by Molmil
Active-site mutant of potato endo-1,3-beta-glucanase in complex with laminaratriose and laminaratetrose
分子名称: Glucan endo-1,3-beta-D-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Wojtkowiak, A, Witek, K, Hennig, J, Jaskolski, M.
登録日2012-09-06
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of an active-site mutant of a plant 1,3-beta-glucanase in complex with oligosaccharide products of hydrolysis
Acta Crystallogr.,Sect.D, 69, 2013
6S22
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BU of 6s22 by Molmil
Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and FGF23c
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R.
登録日2019-06-20
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
5AFK
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BU of 5afk by Molmil
alpha7-AChBP in complex with lobeline and fragment 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
著者Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
登録日2015-01-22
公開日2015-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
5VF6
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BU of 5vf6 by Molmil
Crystal structure of single chain variable fragment (scFv45).
分子名称: single chain variable fragment
著者Shrestha, O.K, Tocilj, A, Joshua-Tor, L, Tonks, N.K.
登録日2017-04-06
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Harnessing insulin- and leptin-induced oxidation of PTP1B for therapeutic development.
Nat Commun, 9, 2018
8QTO
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BU of 8qto by Molmil
CRYSTAL STRUCTURE OF HOLO-L28H-FNR OF A. FISCHERI
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FNR type regulator, IRON/SULFUR CLUSTER
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2023-10-13
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the Reactivity of [4Fe-4S] Fumarate and Nitrate Reduction (FNR) Regulator with O2 and NO: Increased O2 Resistance and Relative Specificity for NO of the [4Fe-4S] L28H FNR Cluster
Inorganics (Basel), 11, 2023
5O91
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BU of 5o91 by Molmil
Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5
分子名称: 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
著者Hiruma, Y, Joosten, R.P, Perrakis, A.
登録日2017-06-15
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
5OAE
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BU of 5oae by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with SVF inhibitor in the active site
分子名称: 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone, COPPER (II) ION, Tyrosinase
著者Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
登録日2017-06-21
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
5OCG
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BU of 5ocg by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ...
著者Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
登録日2017-06-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
4DPL
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BU of 4dpl by Molmil
Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with NadP
分子名称: Malonyl-CoA/succinyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND
著者Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U.
登録日2012-02-13
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
1U7J
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BU of 1u7j by Molmil
Solution structure of a diiron protein model
分子名称: Four-helix bundle model, ZINC ION
著者Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日2004-08-04
公開日2005-03-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
分子名称: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
著者Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
6CJ0
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BU of 6cj0 by Molmil
Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa
分子名称: CARBONATE ION, MAGNESIUM ION, Trehalose phosphatase
著者Hofmann, A, Cross, M, Park, S.-Y.
登録日2018-02-25
公開日2018-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa.
FASEB J., 32, 2018
4DIQ
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BU of 4diq by Molmil
Crystal Structure of human NO66
分子名称: Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-01-31
公開日2012-03-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of human NO66
TO BE PUBLISHED
1CY1
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BU of 1cy1 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'PTPTPT
分子名称: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, ...
著者Feinberg, H, Changela, A, Mondragon, A.
登録日1999-08-31
公開日2000-03-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
1U4R
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BU of 1u4r by Molmil
Crystal Structure of human RANTES mutant 44-AANA-47
分子名称: SULFATE ION, Small inducible cytokine A5
著者Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I.
登録日2004-07-26
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
3NRT
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BU of 3nrt by Molmil
The crystal structure of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482
分子名称: GLYCEROL, MAGNESIUM ION, Putative ryanodine receptor
著者Wu, R, Zhang, R, James, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-06-30
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献he crystal strucutre of putative ryanodine receptor from Bacteroides thetaiotaomicron VPI-5482
To be Published
1U0C
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BU of 1u0c by Molmil
Y33C Mutant of Homing endonuclease I-CreI
分子名称: 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ...
著者Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M.
登録日2004-07-13
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isolation and characterization of new homing endonuclease specificities at individual target site positions.
J.Mol.Biol., 342, 2004
2GUH
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BU of 2guh by Molmil
Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative TetR-family transcriptional regulator
著者Kim, Y, Joachimiak, A, Skarina, T, Zheng, H, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-04-30
公開日2006-05-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1
To be Published
8XTH
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BU of 8xth by Molmil
Thanatin PM15Y in LPS
分子名称: Thanatin
著者Swaleeha, A, Bhattacharrya, S.
登録日2024-01-10
公開日2024-03-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Thanatin VF16QK in LPS
To Be Published
1JMN
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BU of 1jmn by Molmil
Solution Structure of the Viscotoxin A2
分子名称: viscotoxin A2
著者Mosbah, A, Coulon, A, Bernard, C, Urech, K, Rouge, P, Darbon, H.
登録日2001-07-19
公開日2003-06-24
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution Structure of the Viscotoxin A2
TO BE PUBLISHED
3OGZ
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BU of 3ogz by Molmil
Protein structure of USP from L. major in Apo-form
分子名称: GLYCEROL, UDP-sugar pyrophosphorylase
著者Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R.
登録日2010-08-17
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
2H0U
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BU of 2h0u by Molmil
Crystal structure of NAD(P)H-flavin oxidoreductase from Helicobacter pylori
分子名称: FLAVIN MONONUCLEOTIDE, NADPH-flavin oxidoreductase
著者Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-05-15
公開日2006-06-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of NAD(P)H-flavin oxidoreductase from Helicobacter pylori
To be Published
8T1D
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BU of 8t1d by Molmil
Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD
分子名称: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
著者Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-06-02
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
分子名称: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
著者Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
登録日2022-04-15
公開日2022-05-04
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022

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