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6YRQ
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BU of 6yrq by Molmil
Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 4.6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 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Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-04-20
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
6YRB
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BU of 6yrb by Molmil
Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 7.5
分子名称: Envelope polyprotein, IODIDE ION, RNA (5'-D(*())-R(P*UP*UP*UP*())-3'), ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-04-20
公開日2020-10-14
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
4RCE
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BU of 4rce by Molmil
Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2
分子名称: (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2014-12-24
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
6ZJM
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BU of 6zjm by Molmil
Atomic model of Andes virus glycoprotein spike tetramer generated by fitting into a Tula virus reconstruction
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, Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein, ...
著者Stass, R, Huiskonen, J.T, Rey, F, Guardado-Calvo, P.
登録日2020-06-29
公開日2020-10-14
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (11.4 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
4RCF
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BU of 4rcf by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49
分子名称: (4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
6Y5W
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BU of 6y5w by Molmil
Crystal structure of the envelope glycoprotein complex of Andes virus in a near postfusion conformation
分子名称: Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-26
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
8OTV
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BU of 8otv by Molmil
Crystal structure of NUDT14 complexed with novel compound
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC)
登録日2023-04-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
5JO4
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BU of 5jo4 by Molmil
Antibody Fab Fragment Complex
分子名称: D80 Fab Heavy Chain, D80 Fab Light Chain, G6 Fab Heavy Chain, ...
著者Zhang, Z, Prachanronarong, K.P, Marasco, W.A, Schiffer, C.A.S.
登録日2016-05-01
公開日2017-11-08
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype
To Be Published
7QQB
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BU of 7qqb by Molmil
Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2022-01-07
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
8LDH
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BU of 8ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
分子名称: CITRIC ACID, M4 APO-LACTATE DEHYDROGENASE
著者Abad-Zapatero, C, Rossmann, M.G.
登録日1988-01-04
公開日1989-07-12
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
6X6P
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BU of 6x6p by Molmil
Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis
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Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C.
登録日2020-05-28
公開日2020-06-10
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
8RDZ
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BU of 8rdz by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, Ibrutinib (unbound form), ...
著者Raux, B, Huber, K.V.M.
登録日2023-12-09
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
8RIY
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BU of 8riy by Molmil
Human NUDT5 with ibrutinib derivative
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase
著者Balikci-Akil, E, Elkins, J.M, Huber, K.V.M.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
6VKF
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BU of 6vkf by Molmil
CCHFV GP38 (IbAr10200)
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, GP38
著者Mishra, A.K, McLellan, J.S.
登録日2020-01-20
公開日2020-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structure and Characterization of Crimean-Congo Hemorrhagic Fever Virus GP38.
J.Virol., 94, 2020
3LPL
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BU of 3lpl by Molmil
E. coli pyruvate dehydrogenase complex E1 component E571A mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Furey, W.
登録日2010-02-05
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LQ2
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BU of 3lq2 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Furey, W.
登録日2010-02-08
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LDH
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BU of 3ldh by Molmil
A comparison of the structures of apo dogfish m4 lactate dehydrogenase and its ternary complexes
分子名称: LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID
著者White, J.L, Hackert, M.L, Buehner, M, Adams, M.J, Ford, G.C, Lentzjunior, P.J, Smiley, I.E, Steindel, S.J, Rossmann, M.G.
登録日1974-06-06
公開日1977-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A comparison of the structures of apo dogfish M4 lactate dehydrogenase and its ternary complexes.
J.Mol.Biol., 102, 1976
7A5A
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BU of 7a5a by Molmil
Crimean-Congo Hemorrhagic Fever Virus Envelope Glycoprotein Gc W1191H/W1197A/W1199A Mutant in Postfusion Conformation (Monoclinic Crystal Form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein
著者Hellert, J, Guardado-Calvo, P, Rey, F.A.
登録日2020-08-20
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022
7A59
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BU of 7a59 by Molmil
Crimean-Congo Hemorrhagic Fever Virus Envelope Glycoprotein Gc W1191H/W1197A/W1199A Mutant in Postfusion Conformation (Orthorhombic Crystal Form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein, ...
著者Hellert, J, Guardado-Calvo, P, Rey, F.A.
登録日2020-08-20
公開日2021-10-06
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022
1XOB
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BU of 1xob by Molmil
THIOREDOXIN (REDUCED DITHIO FORM), NMR, 20 STRUCTURES
分子名称: THIOREDOXIN
著者Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J.
登録日1995-11-28
公開日1996-06-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
1XOA
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BU of 1xoa by Molmil
THIOREDOXIN (OXIDIZED DISULFIDE FORM), NMR, 20 STRUCTURES
分子名称: THIOREDOXIN
著者Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J.
登録日1995-11-28
公開日1996-06-10
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
6A4T
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BU of 6a4t by Molmil
Crystal structure of Peptidase E from Deinococcus radiodurans R1
分子名称: Peptidase E
著者Yadav, P, Goyal, V.G, Kumar, A, Gokhale, S.M, Makde, R.D.
登録日2018-06-20
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic triad heterogeneity in S51 peptidase family: Structural basis for functional variability.
Proteins, 87, 2019
1LDM
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BU of 1ldm by Molmil
Refined crystal structure of dogfish M4 apo-lactate dehydrogenase
分子名称: M4 LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
著者Griffith, J.P, Rossmann, M.G.
登録日1987-11-25
公開日1989-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
8VVK
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BU of 8vvk by Molmil
CCHFV GP38 bound to ADI-46143 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ...
著者Hjorth, C.K, McLellan, J.S.
登録日2024-01-31
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crimean-Congo Hemorrhagic Fever Survivors Elicit Protective Non-Neutralizing Antibodies that Target 11 Overlapping Regions on Viral Glycoprotein GP38
To Be Published
8VVL
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BU of 8vvl by Molmil
CCHFV GP38 bound to c13G8 Fab
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, CHLORIDE ION, ...
著者Hjorth, C.K, Mishra, A.K, McLellan, J.S.
登録日2024-01-31
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crimean-Congo Hemorrhagic Fever Survivors Elicit Protective Non-Neutralizing Antibodies that Target 11 Overlapping Regions on Viral Glycoprotein GP38
To Be Published

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件を2024-07-17に公開中

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