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2VAX
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BU of 2vax by Molmil
Crystal structure of deacetylcephalosporin C acetyltransferase (Cephalosporin C-soak)
分子名称: 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM, ACETATE ION, ACETYL-COA--DEACETYLCEPHALOSPORIN C ACETYLTRANSFERASE
著者Lejon, S, Ellis, J, Valegard, K.
登録日2007-09-04
公開日2008-09-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Last Step in Cephalosporin C Formation Revealed: Crystal Structures of Deacetylcephalosporin C Acetyltransferase from Acremonium Chrysogenum in Complexes with Reaction Intermediates.
J.Mol.Biol., 377, 2008
4HHP
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BU of 4hhp by Molmil
Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d
分子名称: GLYCEROL, SULFATE ION, Triosephosphate isomerase, ...
著者Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T.
登録日2012-10-10
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Different contribution of conserved amino acids to the global properties of triosephosphate isomerases.
Proteins, 82, 2014
9GFJ
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BU of 9gfj by Molmil
Crystal structure of ASO binding Fab fragment with ASO143
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Hsia, H.-E, Zanini, C, Simonneau, C, Fraidling, J, Kraft, T, Mayer, K, Sommer, A, Indlekofer, A, Wirht, T, Benz, J, Georges, G, Langer, L.M, Gassner, C, Larraillet, V, Manso, M, Ravn, J, Hofer, K, Emrich, T, Niewoehner, J, Schumacher, F, Brinkmann, U.
登録日2024-08-09
公開日2025-08-20
最終更新日2025-11-12
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Improved targeted delivery of antisense oligonucleotide with an antibody mask.
Nucleic Acids Res., 53, 2025
9GFD
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BU of 9gfd by Molmil
Crystal structure of ASO binding Fab fragment with ASO139
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione, Fab Fragment light chain, ...
著者Hsia, H.-E, Zanini, C, Simonneau, C, Fraidling, J, Kraft, T, Mayer, K, Sommer, A, Indlekofer, A, Wirth, T, Benz, J, Geroges, G, Langer, M.L, Gassner, C, Larraillet, V, Manso, M, Ravn, J, Hofer, K, Emrich, T, Niewoehner, J, Schumacher, F, Brinkmann, U.
登録日2024-08-09
公開日2025-08-20
最終更新日2025-11-12
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Improved targeted delivery of antisense oligonucleotide with an antibody mask.
Nucleic Acids Res., 53, 2025
4KUM
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BU of 4kum by Molmil
Structure of LSD1-CoREST-Tetrahydrofolate complex
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C.
登録日2013-05-22
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate.
Protein Sci., 23, 2014
4L9O
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BU of 4l9o by Molmil
Crystal Structure of the Sec13-Sec16 blade-inserted complex from Pichia pastoris
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者McMahon, C, Jeffrey, P.D, Hughson, F.M.
登録日2013-06-18
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Sec16 influences transitional ER sites by regulating rather than organizing COPII.
Mol Biol Cell, 24, 2013
6N1K
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BU of 6n1k by Molmil
Full-length human phenylalanine hydroxylase (PAH) in the resting state
分子名称: CHLORIDE ION, FE (III) ION, Phenylalanine-4-hydroxylase
著者Arturo, E.C, Jaffe, E.K.
登録日2018-11-08
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.057 Å)
主引用文献Biophysical characterization of full-length human phenylalanine hydroxylase provides a deeper understanding of its quaternary structure equilibrium.
J.Biol.Chem., 294, 2019
2VI4
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BU of 2vi4 by Molmil
Atomic resolution (1.10 A) structure of purified thaumatin I grown in sodium DL-tartrate at 6 C.
分子名称: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-1
著者Jakoncic, J, Asherie, N, Ginsberg, C.
登録日2007-11-26
公開日2009-02-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
4O6B
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BU of 4o6b by Molmil
Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
9L8R
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BU of 9l8r by Molmil
Dihydroxyacid dehydratase (DHAD)
分子名称: (2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid, Dihydroxy-acid dehydratase, chloroplastic, ...
著者Zhou, J, Liu, D.
登録日2024-12-28
公開日2025-06-04
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The mutant structure of DHAD
To Be Published
1NFU
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BU of 1nfu by Molmil
CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747
分子名称: 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
5AR2
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BU of 5ar2 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310)
分子名称: CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
著者Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
登録日2015-09-23
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
1NFY
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BU of 1nfy by Molmil
CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095
分子名称: 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
2VF0
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BU of 2vf0 by Molmil
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89
分子名称: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ...
著者Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R.
登録日2007-10-27
公開日2007-12-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
4GV2
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BU of 4gv2 by Molmil
Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2012-08-30
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
1NC3
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BU of 1nc3 by Molmil
Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with formycin A (FMA)
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase
著者Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L.
登録日2002-12-04
公開日2003-03-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
5VD5
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BU of 5vd5 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, a MK1775 analougue
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo [3,4-d]pyrimidin-3-one, CHLORIDE ION, Wee1-like protein kinase
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
7C52
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BU of 7c52 by Molmil
Co-crystal structure of a photosynthetic LH1-RC in complex with electron donor HiPIP
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BACTERIOCHLOROPHYLL A, ...
著者Yu, L.-J, Wang-Otomo, Z.-Y.
登録日2020-05-18
公開日2021-03-03
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal structure of a photosynthetic LH1-RC in complex with its electron donor HiPIP.
Nat Commun, 12, 2021
3BHV
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BU of 3bhv by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B
分子名称: 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
1I6S
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BU of 1i6s by Molmil
T4 LYSOZYME MUTANT C54T/C97A/N101A
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME
著者Kovall, R.A, Baldwin, E.P, Matthews, B.W.
登録日2001-03-04
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
2AL6
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BU of 2al6 by Molmil
FERM domain of Focal Adhesion Kinase
分子名称: Focal adhesion kinase 1
著者Ceccarelli, D.F, Song, H.K, Poy, F, Schaller, M.D, Eck, M.J.
登録日2005-08-04
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of the FERM Domain of Focal Adhesion Kinase
J.Biol.Chem., 281, 2006
4D7Q
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BU of 4d7q by Molmil
Crystal structure of a chimeric protein with the Sec7 domain of Legionella pneumophila RalF and the capping domain of Rickettsia prowazekii RalF
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V.
登録日2014-11-27
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
2FC8
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BU of 2fc8 by Molmil
Solution structure of the RRM_1 domain of NCL protein
分子名称: NCL protein
著者Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-12
公開日2006-06-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the RRM_1 domain of NCL protein
To be published
3DAY
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BU of 3day by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ...
著者Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
7GGJ
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BU of 7ggj by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-4f474d93-1 (Mpro-x12659)
分子名称: (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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