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7Z1E
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BU of 7z1e by Molmil
Nanobody H11-H4 Q98R H100E bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H11-H4 Q98R H100E, ...
著者Mikolajek, H, Naismith, J.H.
登録日2022-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
3C3B
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BU of 3c3b by Molmil
Crystal Structure of human phosphoglycerate kinase bound to D-CDP
分子名称: CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, Phosphoglycerate kinase 1
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
1DVU
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BU of 1dvu by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID
分子名称: DIBENZOFURAN-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-22
公開日2001-01-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVX
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BU of 1dvx by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DICLOFENAC
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-23
公開日2001-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVZ
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BU of 1dvz by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
分子名称: O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-23
公開日2001-01-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVQ
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BU of 1dvq by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN
分子名称: TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-22
公開日2001-01-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVS
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BU of 1dvs by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH RESVERATROL
分子名称: RESVERATROL, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-22
公開日2001-01-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
3C3A
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BU of 3c3a by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-ADP
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
1SN1
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BU of 1sn1 by Molmil
STRUCTURE OF SCORPION NEUROTOXIN BMK M1
分子名称: PROTEIN (NEUROTOXIN BMK M1)
著者He, X.L, Li, H.M, Liu, X.Q, Zeng, Z.H, Wang, D.C.
登録日1998-11-12
公開日1999-11-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel.
J.Mol.Biol., 292, 1999
1KTX
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BU of 1ktx by Molmil
KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS
分子名称: KALIOTOXIN
著者Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E.
登録日1994-06-02
公開日1995-01-26
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Kaliotoxin (1-37) shows structural differences with related potassium channel blockers.
Biochemistry, 33, 1994
8A7I
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BU of 8a7i by Molmil
Crystal structure of BRD9 bromodomain in complex with compound EA-89
分子名称: Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide
著者Faller, M, Zink, F.
登録日2022-06-21
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
3U0N
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BU of 3u0n by Molmil
Crystal structure of the engineered fluorescent protein mRuby, crystal form 2
分子名称: SULFATE ION, mRuby
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
3U0K
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BU of 3u0k by Molmil
Crystal Structure of the genetically encoded calcium indicator RCaMP
分子名称: ACETATE ION, CALCIUM ION, RCaMP
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
7Z85
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BU of 7z85 by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-B5 nanobody complex
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, Nanobody H11-B5, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z9Q
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BU of 7z9q by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-A10 nanobody complex
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, Nanobody H11-A10, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-21
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z7X
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BU of 7z7x by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H6 nanobody complex
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, Nanobody H11-H6, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z9R
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BU of 7z9r by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 2Up1Down conformation
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, Nanobody H11-H4 Q98R H100E, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-21
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z86
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BU of 7z86 by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 1Up2Down conformation
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, Nanobody H11-H4 Q98R H100E, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z6V
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BU of 7z6v by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11 nanobody complex
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, Nanobody H11, ...
著者Weckener, M, Naismith, J.H, Vogirala, V.K.
登録日2022-03-14
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
6GRZ
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BU of 6grz by Molmil
Crystal structure of the light chain dimer mH6
分子名称: GLYCEROL, mH6
著者Maritan, M, Ricagno, S, Ambrosetti, A, Oberti, L.
登録日2018-06-13
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inherent Biophysical Properties Modulate the Toxicity of Soluble Amyloidogenic Light Chains
J.Mol.Biol., 2020
1DVT
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BU of 1dvt by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN
分子名称: FLURBIPROFEN, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-22
公開日2001-01-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVY
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BU of 1dvy by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
分子名称: N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
著者Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
登録日2000-01-23
公開日2001-01-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
8AAK
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BU of 8aak by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 29
分子名称: (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAP
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BU of 8aap by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi
分子名称: (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAO
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BU of 8aao by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 95
分子名称: (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023

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