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7XU5
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BU of 7xu5 by Molmil
Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed 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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7XU3
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BU of 7xu3 by Molmil
Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed 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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7XU6
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BU of 7xu6 by Molmil
Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7XHQ
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BU of 7xhq by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
分子名称: 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Luo, Y, Zhu, J, Yu, K, Liu, B.
登録日2022-04-09
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
7NL6
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Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: CALCIUM ION, DC-SIGN, CRD domain, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
6SP7
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BU of 6sp7 by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
分子名称: (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2019-08-31
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
6SP6
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BU of 6sp6 by Molmil
Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2019-08-31
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
5NNS
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BU of 5nns by Molmil
Crystal structure of HiLPMO9B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ...
著者Dimarogona, M, Sandgren, M.
登録日2017-04-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
4WYH
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BU of 4wyh by Molmil
Crystal structure of PriX from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: IODIDE ION, Uncharacterized protein
著者Ouyang, S.
登録日2014-11-17
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
5F5M
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BU of 5f5m by Molmil
Crystal structure of Marburg virus nucleoprotein core domain
分子名称: Nucleoprotein
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
5F5O
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BU of 5f5o by Molmil
Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide
分子名称: Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
6J0D
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BU of 6j0d by Molmil
Crystal structure of OsSUF4
分子名称: ZINC ION, transcription factor
著者Wang, B, Luo, Q.
登録日2018-12-24
公開日2019-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The transcription factor OsSUF4 interacts with SDG725 in promoting H3K36me3 establishment.
Nat Commun, 10, 2019
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
7N0D
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BU of 7n0d by Molmil
Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex
分子名称: CHAPSO, MAGNESIUM ION, Non-structural protein 10, ...
著者Liu, C, Yang, Y.
登録日2021-05-25
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
7N0B
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BU of 7n0b by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex
分子名称: CALCIUM ION, Non-structural protein 10, Proofreading exoribonuclease, ...
著者Liu, C, Yang, Y.
登録日2021-05-25
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
7N0C
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BU of 7n0c by Molmil
Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex
分子名称: MAGNESIUM ION, Non-structural protein 10, Proofreading exoribonuclease, ...
著者Liu, C, Yang, Y.
登録日2021-05-25
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
1VWA
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STREPTAVIDIN-FSHPQNT
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWF
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BU of 1vwf by Molmil
STREPTAVIDIN COMPLEXED WITH CYCLO-AC-[CHPQGPPC]-NH2 MONOMER, PH 3.67
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWK
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STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2
分子名称: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWH
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STREPTAVIDIN COMPLEXED WITH THE HEAD-TO-TAIL DISULFIDE-BONDED PEPTIDE DIMER OF CYCLO-AC-[CHPQGPPC]-NH2, PH 3.5
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWR
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STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 3.5, I4122 COMPLEX
分子名称: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWI
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STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 1.5, I222 COMPLEX
分子名称: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWP
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STREPTAVIDIN COMPLEXED WITH CYCLO-AC-[CHPQGPPC]-NH2 MONOMER, PH 2.5
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997

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