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8ONT
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BU of 8ont by Molmil
Structure of Setaria italica NRAT in complex with a nanobody
分子名称: DIUNDECYL PHOSPHATIDYL CHOLINE, NRAMP related aluminium transporter, Nanobody1
著者Ramanadane, K, Liziczai, M, Markovic, D, Straub, M.S, Rosalen, G.T, Udovcic, A, Dutzler, R, Manatschal, C.
登録日2023-04-03
公開日2023-04-12
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural and functional properties of a plant NRAMP-related aluminum transporter.
Elife, 12, 2023
7QIA
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BU of 7qia by Molmil
Structure of apo-EleNRMT in complex with two nanobodies at 3.5A
分子名称: Divalent metal cation transporter, Nanobody 1, Nanobody 2
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-14
公開日2021-12-29
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QIC
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BU of 7qic by Molmil
Structure of magnesium-bound EleNRMT in complex with two nanobodies at 4.1A
分子名称: Divalent metal cation transporter, MAGNESIUM ION, Nanobody 1, ...
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-14
公開日2021-12-29
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QJI
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BU of 7qji by Molmil
X-Ray Structure of apo-EleNRMT in complex with two Nanobodies at 4.1A
分子名称: Divalent metal cation transporter, Elen-Nanobody-complex
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-16
公開日2022-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QJJ
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BU of 7qjj by Molmil
X-Ray Structure of a Mn2+ soak of EleNRMT in complex with two Nanobodies at 4.6A
分子名称: Divalent metal cation transporter, Elen-Nb1-Nb2, MANGANESE (II) ION
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-16
公開日2022-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
著者Raman, K, Babu, Y.S.
登録日2022-06-20
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
著者Raman, K, Babu, Y.S.
登録日2022-06-23
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
著者Raman, K, Babu, Y.S.
登録日2022-06-09
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DNN
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BU of 8dnn by Molmil
Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
著者Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
登録日2022-07-11
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
1ZW8
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BU of 1zw8 by Molmil
Solution structure of a ZAP1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae
分子名称: ZINC ION, Zinc-responsive transcriptional regulator ZAP1
著者Wang, Z, Feng, L.S, Venkataraman, K, Matskevich, V.A, Parasuram, P, Laity, J.H.
登録日2005-06-03
公開日2006-01-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a Zap1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae.
J.Mol.Biol., 357, 2006
8Y4Z
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BU of 8y4z by Molmil
Monomeric HERC5 HECT c-lobe structure in solution
分子名称: E3 ISG15--protein ligase HERC5
著者Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V.
登録日2024-01-31
公開日2024-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Monomeric HERC5 HECT c-lobe structure in solution
To Be Published
4GC5
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BU of 4gc5 by Molmil
Crystal structure of murine TFB1M
分子名称: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial
著者Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
登録日2012-07-29
公開日2013-07-10
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
4GC9
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BU of 4gc9 by Molmil
Crystal structure of murine TFB1M in complex with SAM
分子名称: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ...
著者Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
登録日2012-07-30
公開日2013-07-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
4ACP
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BU of 4acp by Molmil
Deactivation of human IgG1 Fc by endoglycosidase treatment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION
著者Raman, K, Bowden, T.A, Krishna, B.A, Dwek, R.A, Crispin, M, Scanlan, C.N.
登録日2011-12-16
公開日2012-04-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Selective Deactivation of Serum Igg: A General Strategy for the Enhancement of Monoclonal Antibody Receptor Interactions.
J.Mol.Biol., 420, 2012
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
分子名称: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
著者Raman, K, Yarlagadda, B.
登録日2007-02-13
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
3CBO
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BU of 3cbo by Molmil
SET7/9-ER-AdoHcy complex
分子名称: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
著者Cheng, X, Jia, D.
登録日2008-02-22
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
分子名称: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
著者Cheng, X, Jia, D.
登録日2008-02-22
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
3CBP
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BU of 3cbp by Molmil
Set7/9-ER-Sinefungin complex
分子名称: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
著者Cheng, X, Jia, D.
登録日2008-02-22
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
7N7X
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BU of 7n7x by Molmil
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
分子名称: Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain
著者Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W.
登録日2021-06-11
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
7K9Z
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BU of 7k9z by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ...
著者Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P.
登録日2020-09-29
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
5C2C
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BU of 5c2c by Molmil
GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (unliganded form)
分子名称: CHLORIDE ION, Form II RubisCO, MAGNESIUM ION
著者Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R.
登録日2015-06-15
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria.
Environ.Microbiol., 18, 2016
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
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, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
7KMG
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LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMH
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LY-CoV488 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021

 

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