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6TXO
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BU of 6txo by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-14
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TWV
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BU of 6twv by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany with human receptor analogue, 6'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TVF
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BU of 6tvf by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN
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, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TWH
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BU of 6twh by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany
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, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TWS
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BU of 6tws by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany with 2mM EDTA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6B1E
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BU of 6b1e by Molmil
The structure of DPP4 in complex with Vildagliptin
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, 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne, ...
著者Scapin, G.
登録日2017-09-18
公開日2017-09-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
6B1O
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BU of 6b1o by Molmil
The structure of DPP4 in complex with Vildagliptin Analog
分子名称: (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2017-09-18
公開日2017-09-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
6VL2
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BU of 6vl2 by Molmil
Stigmurin
分子名称: Stigmurin
著者Rodrigues, S.C.S, Resende, J.M, Araujo, R.M, Pedrosa, M.F.F.
登録日2020-01-22
公開日2021-01-13
最終更新日2021-01-20
実験手法SOLUTION NMR
主引用文献NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity.
Peptides, 137, 2021
6W3Z
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BU of 6w3z by Molmil
Crystal Structure of Brugia malayi Deoxyhypusine synthase (DHPS)
分子名称: BMA-DHPS-1, isoform a, CHLORIDE ION, ...
著者Santiago, A.S, dos Reis, C.V, Ramos, P.Z, Klippel, H.A, Silva, S.F, Zanelli, C.F, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2020-03-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural features and development of an assay platform of the parasite target deoxyhypusine synthase of Brugia malayi and Leishmania major.
Plos Negl Trop Dis, 14, 2020
4A51
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BU of 4a51 by Molmil
Crystal structure of human kinesin Eg5 in complex with 1-(3-(((2-Aminoethyl)thio)diphenylmethyl)phenyl)ethanone hydrochloride
分子名称: 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-24
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4A50
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BU of 4a50 by Molmil
Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid
分子名称: (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-24
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4BBG
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BU of 4bbg by Molmil
Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol
分子名称: 3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2012-09-22
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimized S-Trityl-L-Cysteine-Based Inhibitors of Kinesin Spindle Protein with Potent in Vivo Antitumor Activity in Lung Cancer Xenograft Models.
J.Med.Chem., 56, 2013
8C7J
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BU of 8c7j by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
分子名称: CHLORIDE ION, Fab heavy chain with knob domain, Fab light chain
著者Adams, R, Macpherson, A.
登録日2023-01-16
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
8C7V
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BU of 8c7v by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
分子名称: Fab heavy chain, Fab light chain
著者Adams, R, Macpherson, A.
登録日2023-01-17
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
8CDG
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BU of 8cdg by Molmil
Crystal structure of human IL-17A cytokine in complex with macrocycle
分子名称: (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid, Interleukin-17A
著者Schulze, M.-S.
登録日2023-01-30
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Modulation of IL-17 backbone dynamics reduces receptor affinity and reveals a new inhibitory mechanism.
Chem Sci, 14, 2023
7KPA
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asymmetric hTNF-alpha
分子名称: 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor
著者Fox III, D, Lukacs, C.M, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF.
Nat Commun, 12, 2021
7KPB
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BU of 7kpb by Molmil
Human TNF-alpha TNFR1 complex bound to conformationally selective antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ...
著者Fox III, D, Conrady, D.G, Lowe, M, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF
Nat Commun, 12, 2021
7KQD
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Prefusion RSV F Bound to RV521
分子名称: 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION
著者McLellan, J.S.
登録日2020-11-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.
J.Med.Chem., 64, 2021

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