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7ARR
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BU of 7arr by Molmil
The de novo designed hybrid alpha/beta-miniprotein
分子名称: CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ...
著者Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L.
登録日2020-10-26
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A computationally designed beta-amino acid-containing miniprotein.
Chem.Commun.(Camb.), 57, 2021
2VIR
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BU of 2vir by Molmil
INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY
分子名称: HEMAGGLUTININ, IMMUNOGLOBULIN (IGG1, LAMBDA), ...
著者Bizebard, T, Fleury, D, Gigant, B, Wharton, S.A, Skehel, J.J, Knossow, M.
登録日1997-12-22
公開日1998-04-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Antigen distortion allows influenza virus to escape neutralization.
Nat.Struct.Biol., 5, 1998
1T2A
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BU of 1t2a by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase
分子名称: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Wasney, G, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U.
登録日2004-04-20
公開日2004-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure and Biophysical Characterization of Human GDP-D-mannose 4,6-dehydratase
To be Published
7AH8
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BU of 7ah8 by Molmil
NF-Y bound to suramin inhibitor
分子名称: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ...
著者Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M.
登録日2020-09-24
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.70001364 Å)
主引用文献Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
7AT5
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BU of 7at5 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2
分子名称: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-29
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7ATV
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BU of 7atv by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-31
公開日2021-08-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
分子名称: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-29
公開日2021-08-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7ATG
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BU of 7atg by Molmil
Crystal structure of Z-DNA in complex with putrescinium and potassium cations at ultrahigh-resolution
分子名称: 4-azaniumylbutylazanium, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), POTASSIUM ION
著者Drozdzal, P, Gilski, M, Jaskolski, M.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.6 Å)
主引用文献Crystal structure of Z-DNA in complex with the polyamine putrescine and potassium cations at ultra-high resolution.
Acta Crystallogr.,Sect.B, 77, 2021
4R18
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BU of 4r18 by Molmil
Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome
分子名称: ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ...
著者Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M.
登録日2014-08-04
公開日2014-10-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R9X
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BU of 4r9x by Molmil
Crystal Structure of Putative Copper Homeostasis Protein CutC from Bacillus anthracis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Copper homeostasis protein CutC, ...
著者Kim, Y, Zhou, M, Makowska-Grzyska, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-09-08
公開日2014-09-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8515 Å)
主引用文献Crystal Structure of Putative Copper Homeostasis Protein CutC from Bacillus anthracis
To be Published, 2014
7ZIZ
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BU of 7ziz by Molmil
X-ray structure of the dead variant haloalkane dehalogenase HaloTag7-D106A bound to a pentanol tetramethylrhodamine ligand (TMR-Hy5)
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
登録日2022-04-08
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
7ZJ0
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BU of 7zj0 by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentylmethanesulfonamide tetramethylrhodamine ligand (TMR-S5)
分子名称: GLYCEROL, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
著者Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
登録日2022-04-08
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
7ZIY
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BU of 7ziy by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T5)
分子名称: CALCIUM ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
著者Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
登録日2022-04-08
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
4R6O
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BU of 4r6o by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
分子名称: 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-08
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
4R3V
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BU of 4r3v by Molmil
Structure of karilysin propeptide and catalytic MMP domain
分子名称: CALCIUM ION, GLYCEROL, Karilysin, ...
著者Lopez-Pelegrin, M, Ksiazek, M, Karim, A.Y, Guevara, T, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
登録日2014-08-18
公開日2015-01-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A novel mechanism of latency in matrix metalloproteinases.
J.Biol.Chem., 290, 2015
1THF
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BU of 1thf by Molmil
CYCLASE SUBUNIT OF IMIDAZOLEGLYCEROLPHOSPHATE SYNTHASE FROM THERMOTOGA MARITIMA
分子名称: HISF PROTEIN, PHOSPHATE ION
著者Lang, D.A, Wilmanns, M.
登録日1998-09-17
公開日2000-07-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural evidence for evolution of the beta/alpha barrel scaffold by gene duplication and fusion.
Science, 289, 2000
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-05
公開日2023-03-08
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
4R7J
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BU of 4r7j by Molmil
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase with the Internal Deletion Containing CBS Domain from Campylobacter jejuni
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-08-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1172 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase with the Internal Deletion Containing CBS Domain from Campylobacter jejuni
To be Published, 2014
7AQZ
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BU of 7aqz by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB14)
分子名称: CITRIC ACID, Nanobody VSG2(NB14), SODIUM ION, ...
著者Stebbins, C.E, Hempelmann, A, VanStraaten, M.
登録日2020-10-23
公開日2021-11-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
7AQY
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BU of 7aqy by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB11)
分子名称: Nanobody VSG2(NB11), Variant surface glycoprotein MITAT 1.2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Stebbins, C.E, Hempelmann, A, VanStraaten, M.
登録日2020-10-23
公開日2021-11-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
4QPP
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BU of 4qpp by Molmil
The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE
分子名称: 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ...
著者Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-24
公開日2014-08-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421
To be Published
4R6P
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BU of 4r6p by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
分子名称: 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
7ZWG
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BU of 7zwg by Molmil
The Crystal structure of RO4493940 bound to CK2alpha
分子名称: (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Brear, P, Hyvonen, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024

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