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8GMR
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BU of 8gmr by Molmil
Cryo-EM structure of octameric human CALHM1
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
1EJE
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BU of 1eje by Molmil
CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ...
著者Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-03-02
公開日2000-10-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
著者Davies, D.R.
登録日2009-01-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
6FBJ
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BU of 6fbj by Molmil
monoclonal antibody targeting Matrix metalloproteinase 7
分子名称: Heavy Chain, Light chain
著者Dym, O.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel monoclonal antibody targeting Matrix metalloproteinase 7 shows therapeutic potential against pancreatic cancer
To Be Published
7XYQ
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BU of 7xyq by Molmil
Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder
分子名称: ARGININE, CD274 molecule, DBL1_03
著者Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.
登録日2022-06-02
公開日2023-04-12
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
285D
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BU of 285d by Molmil
X-RAY AND SOLUTION STUDIES OF DNA OLIGOMERS AND IMPLICATIONS FOR THE STRUCTURAL BASIS OF A-TRACT-DEPENDENT CURVATURE
分子名称: DNA (5'-D(*CP*GP*CP*AP*IP*AP*TP*(5CM)P*TP*GP*CP*G)-3')
著者Shatzky-Schwartz, M, Shakked, Z, Luisi, B.F.
登録日1996-09-11
公開日1997-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray and solution studies of DNA oligomers and implications for the structural basis of A-tract-dependent curvature.
J.Mol.Biol., 267, 1997
5A0F
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BU of 5a0f by Molmil
Crystal structure of Yersinia Afp18-modified RhoA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Jank, T, Schimpl, M, van Aalten, D.M.
登録日2015-04-20
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
7XAD
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BU of 7xad by Molmil
Crystal strucutre of PD-L1 and DBL2_02 designed protein binder
分子名称: DBL2_02 binder, Programmed cell death 1 ligand 1
著者Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G.
登録日2022-03-17
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
286D
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BU of 286d by Molmil
X-RAY AND SOLUTION STUDIES OF DNA OLIGOMERS AND IMPLICATIONS FOR THE STRUCTURAL BASIS OF A-TRACT-DEPENDENT CURVATURE
分子名称: DNA (5'-D(*CP*CP*IP*IP*IP*CP*CP*CP*GP*G)-3')
著者Shatzky-Schwartz, M, Shakked, Z, Luisi, B.F.
登録日1996-09-16
公開日1997-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray and solution studies of DNA oligomers and implications for the structural basis of A-tract-dependent curvature.
J.Mol.Biol., 267, 1997
2VCD
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BU of 2vcd by Molmil
Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin
分子名称: Outer membrane protein MIP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Paschke, A.-K, Fischer, G, Roesch, P, Faber, C.
登録日2007-09-20
公開日2008-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Legionella pneumophila Mip-rapamycin complex.
BMC Struct. Biol., 8, 2008
2DWR
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BU of 2dwr by Molmil
Crystal structure of the human Wa rotavirus VP8* carbohydrate-recognising domain
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
5BWI
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BU of 5bwi by Molmil
Crystallographic structure of a bacterial heparanase
分子名称: ACETATE ION, GLYCEROL, Glycoside Hydrolase Family 79, ...
著者Yu, X, Blanchard, H.
登録日2015-06-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and structural characterization of a heparanase.
Nat.Chem.Biol., 11, 2015
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
分子名称: ACETATE ION, CALCIUM ION, ZINC ION, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-03-11
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
297D
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BU of 297d by Molmil
X-RAY AND SOLUTION STUDIES OF DNA OLIGOMERS AND IMPLICATIONS FOR THE STRUCTURAL BASIS OF A-TRACT-DEPENDENT CURVATURE
分子名称: DNA (5'-D(*CP*GP*CP*AP*IP*AP*TP*(5CM)P*TP*GP*CP*G)-3')
著者Arbuckle, N.D, Luisi, B.F.
登録日1996-11-19
公開日1997-02-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray and solution studies of DNA oligomers and implications for the structural basis of A-tract-dependent curvature.
J.Mol.Biol., 267, 1997
5KV9
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BU of 5kv9 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
分子名称: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
5KV8
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BU of 5kv8 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
分子名称: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
8CLF
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BU of 8clf by Molmil
Z-SolQ2Br bound to tubulin (T2R-TTL) complex
分子名称: 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021

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