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8AUR
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BU of 8aur by Molmil
Cryo-EM structure of a TasA fibre
Descriptor: Major biofilm matrix component
Authors:Boehning, J, Bharat, T.A.M.
Deposit date:2022-08-25
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Donor-strand exchange drives assembly of the TasA scaffold in Bacillus subtilis biofilms.
Nat Commun, 13, 2022
8AW4
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BU of 8aw4 by Molmil
Structure of a complex of biosynthetic proteins bB-E3 and bGFPD-YY
Descriptor: ALPHAREP bB-E3, ALPHAREP bGFPD-YY
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-08-29
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Hot spot induction allows selection of protein binders targeted to a predefined region of a bait protein
To Be Published
7Q1E
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BU of 7q1e by Molmil
CPAP:TUBULIN:IIH5 ALPHAREP COMPLEX
Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Campanacci, V, Gigant, b.
Deposit date:2021-10-19
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q1F
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BU of 7q1f by Molmil
CPAP:TUBULIN:IE5 ALPHAREP COMPLEX
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CITRATE ANION, Centromere protein J, ...
Authors:Campanacci, V, Gigant, b.
Deposit date:2021-10-19
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z0G
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BU of 7z0g by Molmil
CPAP:TUBULIN:IE5 ALPHAREP COMPLEX P1 SPACE GROUP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Centromere protein J, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2022-02-22
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.487 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z0F
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BU of 7z0f by Molmil
CPAP:S-TUBULIN:IIH5 ALPHAREP COMPLEX
Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2022-02-22
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XN6
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BU of 6xn6 by Molmil
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-02
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
6XPA
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BU of 6xpa by Molmil
ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-08
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
7F9F
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BU of 7f9f by Molmil
Thrombocorticin
Descriptor: MAGNESIUM ION, Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y, Freymann, D.M.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.411 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9G
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BU of 7f9g by Molmil
Thrombocorticin in complex with Ca2+ and fucose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-L-fucopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.331 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9J
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BU of 7f9j by Molmil
Thrombocorticin Q25K in complex with Ca2+
Descriptor: CALCIUM ION, Thrombocorticin Q25K mutant
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F91
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BU of 7f91 by Molmil
SeMet derivative of Thrombocorticin
Descriptor: Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-03
Release date:2022-07-06
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7FBL
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BU of 7fbl by Molmil
Thrombocorticin in complex with Ca2+ and mannose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-D-mannopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7QDL
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BU of 7qdl by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567
Descriptor: (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2021-11-27
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.
J.Med.Chem., 65, 2022
4YJP
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BU of 4yjp by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223
Descriptor: 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJU
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BU of 4yju by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249
Descriptor: N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M, Stuckey, J.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJT
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BU of 4yjt by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233
Descriptor: GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M, Stuckey, J.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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BU of 4yjr by Molmil
SYK kinase domain in complex with inhibitor GTC000225
Descriptor: 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M, Stuckey, J.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJQ
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BU of 4yjq by Molmil
SYK kinase domain in complex with inhibitor GTC000224
Descriptor: 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M, Stuckey, J.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
5GU7
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BU of 5gu7 by Molmil
Crystal Structure of human ERp44 form II
Descriptor: Endoplasmic reticulum resident protein 44
Authors:Watanabe, S, Inaba, K.
Deposit date:2016-08-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of pH-dependent client binding by ERp44, a key regulator of protein secretion at the ER-Golgi interface
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GU6
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BU of 5gu6 by Molmil
Crystal structure of Human ERp44 form I
Descriptor: CHLORIDE ION, Endoplasmic reticulum resident protein 44
Authors:Watanabe, S, Inaba, K.
Deposit date:2016-08-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of pH-dependent client binding by ERp44, a key regulator of protein secretion at the ER-Golgi interface
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4YJO
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BU of 4yjo by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000222
Descriptor: 5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJV
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BU of 4yjv by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
Descriptor: 3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M, Stuckey, J.
Deposit date:2015-03-03
Release date:2015-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
to be published
8PSD
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BU of 8psd by Molmil
SARS-CoV-2 XBB 1.0 closed conformation.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Duhoo, Y, Lau, K.
Deposit date:2023-07-13
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys.
J Infect, 87, 2023
8PQ2
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BU of 8pq2 by Molmil
XBB 1.0 RBD bound to P4J15 (Local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P4J15 Fragment Antigen-Binding Heavy Chain, P4J15 Fragment Antigen-Binding Light Chain, ...
Authors:Duhoo, Y, Lau, K.
Deposit date:2023-07-10
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys.
J Infect, 87, 2023

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数据于2024-07-17公开中

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