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7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KKJ
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BU of 7kkj by Molmil
Structure of anti-SARS-CoV-2 Spike nanobody mNb6
分子名称: CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
6OB5
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BU of 6ob5 by Molmil
Computationally-designed, modular sense/response system (S3-2D)
分子名称: Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ...
著者Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T.
登録日2019-03-19
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Computational design of a modular protein sense-response system.
Science, 366, 2019
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT0
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BU of 8tt0 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=4.2
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT2
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BU of 8tt2 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.4
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT4
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BU of 8tt4 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=6.0
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-11
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT5
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BU of 8tt5 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=8.3
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT1
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BU of 8tt1 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.0
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8FRC
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BU of 8frc by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 4.91
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRA
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BU of 8fra by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRB
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BU of 8frb by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRD
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BU of 8frd by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, MAGNESIUM ION
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8GCA
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BU of 8gca by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-03-01
公開日2023-03-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FR9
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BU of 8fr9 by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.08
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRG
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BU of 8frg by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
5HPN
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BU of 5hpn by Molmil
A circularly permuted PduA forming an icosahedral cage
分子名称: Permuted PduA, SULFATE ION
著者Leibly, D.J, Jorda, J, Yeates, T.O.
登録日2016-01-20
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Structure of a novel 13 nm dodecahedral nanocage assembled from a redesigned bacterial microcompartment shell protein.
Chem.Commun.(Camb.), 52, 2016
8USK
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BU of 8usk by Molmil
Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024

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